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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (2,901)
Complex Aldehydes (1,637)
Alpha beta-unsaturated carbonyl compounds (318)
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1

Thermo Scientific Chemicals D-(+)-Maltose monohydrate, 95%

CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

EDGE
CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H24O12
2

Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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PubChem CID 5984
CAS 57-48-7
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:48095
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula C6H12O6
3

3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%

CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

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PubChem CID 17198
CAS 2478-38-8
Molecular Weight (g/mol) 196.20
ChEBI CHEBI:2404
MDL Number MFCD00008748
SMILES COC1=CC(=CC(OC)=C1O)C(C)=O
Synonym acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy
IUPAC Name 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI Key OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula C10H12O4
4

Ethyl acetoacetate, 99+%, extra pure

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

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PubChem CID 8868
CAS 141-97-9
Molecular Weight (g/mol) 130.14
ChEBI CHEBI:4893
MDL Number MFCD00009199
SMILES CCOC(=O)CC(=O)C
Synonym ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
IUPAC Name ethyl 3-oxobutanoate
InChI Key XYIBRDXRRQCHLP-UHFFFAOYSA-N
Molecular Formula C6H10O3
5

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

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PubChem CID 15538
CAS 1694-31-1
Molecular Weight (g/mol) 158.2
MDL Number MFCD00008811
SMILES CC(=O)CC(=O)OC(C)(C)C
Synonym tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
IUPAC Name tert-butyl 3-oxobutanoate
InChI Key JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula C8H14O3
6

Glyoxal, 40% w/w aq. soln.

CAS: 107-22-2 Molecular Formula: C2H2O2 Molecular Weight (g/mol): 58.036 MDL Number: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Synonym: glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O

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PubChem CID 7860
CAS 107-22-2
Molecular Weight (g/mol) 58.036
ChEBI CHEBI:34779
MDL Number MFCD00006957
SMILES C(=O)C=O
Synonym glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40
IUPAC Name oxaldehyde
InChI Key LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Molecular Formula C2H2O2
7

2,6-Dichloroindophenol, sodium salt hydrate, 90+%

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: CVSUAFOWIXUYQA-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate PubChem CID: 23696612 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate SMILES: [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1

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PubChem CID 23696612
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
MDL Number MFCD00150014
SMILES [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1
Synonym 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate
InChI Key CVSUAFOWIXUYQA-UHFFFAOYSA-M
Molecular Formula C12H6Cl2NNaO2
8

1-Hydroxycyclohexyl phenyl ketone, 98%, Thermo Scientific Chemicals

CAS: 947-19-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00059561 InChI Key: QNODIIQQMGDSEF-UHFFFAOYSA-N Synonym: 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone PubChem CID: 70355 IUPAC Name: (1-hydroxycyclohexyl)-phenylmethanone SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)O

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PubChem CID 70355
CAS 947-19-3
Molecular Weight (g/mol) 204.269
MDL Number MFCD00059561
SMILES C1CCC(CC1)(C(=O)C2=CC=CC=C2)O
Synonym 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone
IUPAC Name (1-hydroxycyclohexyl)-phenylmethanone
InChI Key QNODIIQQMGDSEF-UHFFFAOYSA-N
Molecular Formula C13H16O2
9

3-Ethoxy-4-hydroxybenzaldehyde, 98%

CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O

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PubChem CID 8467
CAS 121-32-4
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:48408
MDL Number MFCD00006944
SMILES CCOC1=CC(C=O)=CC=C1O
Synonym ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal
IUPAC Name 3-ethoxy-4-hydroxybenzaldehyde
InChI Key CBOQJANXLMLOSS-UHFFFAOYSA-N
Molecular Formula C9H10O3
10

D(-)-Fructose, Certified AR for Analysis, Fisher Chemical™

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: 148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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PubChem CID 5984
CAS 57-48-7
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:48095
MDL Number 148910
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula C6H12O6
11

Acetophenone, 98%, pure

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

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PubChem CID 7410
CAS 98-86-2
ChEBI CHEBI:27632
MDL Number MFCD00008724
SMILES CC(=O)C1=CC=CC=C1
Synonym acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name 1-phenylethanone
InChI Key KWOLFJPFCHCOCG-UHFFFAOYSA-N
12

Propiophenone, 99%

CAS: 93-55-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00009309 InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Synonym: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 IUPAC Name: 1-phenylpropan-1-one SMILES: CCC(=O)C1=CC=CC=C1

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PubChem CID 7148
CAS 93-55-0
Molecular Weight (g/mol) 134.178
ChEBI CHEBI:425902
MDL Number MFCD00009309
SMILES CCC(=O)C1=CC=CC=C1
Synonym propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one
IUPAC Name 1-phenylpropan-1-one
InChI Key KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Molecular Formula C9H10O
13

Vanillin, 99%, pure

CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

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PubChem CID 1183
CAS 121-33-5
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:18346
MDL Number MFCD00006942,MFCD08702848
SMILES COC1=CC(C=O)=CC=C1O
Synonym vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde
IUPAC Name 4-hydroxy-3-methoxybenzaldehyde
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
14

4'-Aminoacetophenone, 99%

CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1

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PubChem CID 7468
CAS 99-92-3
Molecular Weight (g/mol) 135.17
MDL Number MFCD00007896
SMILES CC(=O)C1=CC=C(N)C=C1
Synonym 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino
IUPAC Name 1-(4-aminophenyl)ethanone
InChI Key GPRYKVSEZCQIHD-UHFFFAOYSA-N
Molecular Formula C8H9NO
15
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2,6-Dichloroindophenol sodium salt hydrate

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1

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PubChem CID 23697355
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
ChEBI CHEBI:948
MDL Number MFCD00150014
SMILES [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
Synonym 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
InChI Key FHLDWQLHDYCXKI-UHFFFAOYSA-M
Molecular Formula C12H6Cl2NNaO2