Organic acids and derivatives
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Nickel(II) trifluoromethanesulfonate, 96%, Thermo Scientific Chemicals
CAS: 60871-84-3 Molecular Formula: C2F6NiO6S2 Molecular Weight (g/mol): 356.82 MDL Number: MFCD00673740 InChI Key: KVRSDIJOUNNFMZ-UHFFFAOYSA-L Synonym: nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate PubChem CID: 9820095 IUPAC Name: nickel(2+);trifluoromethanesulfonate SMILES: [Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
| PubChem CID | 9820095 |
|---|---|
| CAS | 60871-84-3 |
| Molecular Weight (g/mol) | 356.82 |
| MDL Number | MFCD00673740 |
| SMILES | [Ni++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F |
| Synonym | nickel ii trifluoromethanesulfonate,nickel ii triflate,nickel 2+ ditriflate,trifluoromethanesulfonic acid nickel ii salt,nickel triflate,acmc-209mmw,ni otf 2,nickelous trifluoromethanesulfonate,nickel 2+ ion ditriflate |
| IUPAC Name | nickel(2+);trifluoromethanesulfonate |
| InChI Key | KVRSDIJOUNNFMZ-UHFFFAOYSA-L |
| Molecular Formula | C2F6NiO6S2 |
Citric acid, trilithium salt tetrahydrate, 98%, pure, Thermo Scientific Chemicals
CAS: 6080-58-6 MDL Number: MFCD00150030 InChI Key: HXGWMCJZLNWEBC-UHFFFAOYSA-K Synonym: lithium citrate tetrahydrate,unii-5z6e9k79yv,trilithium citrate tetrahydrate,lithium citrate usp,citric acid trilithium salt tetrahydrate,tri-lithium citrate tetrahydrate,lithium citrate tribasic tetrahydrate,lithonate tn,1,2,3-propanetricarboxylic acid, 2-hydroxy-trilithium salt tetrahydrate PubChem CID: 2724118 ChEBI: CHEBI:64754 IUPAC Name: trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate SMILES: [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O
| PubChem CID | 2724118 |
|---|---|
| CAS | 6080-58-6 |
| ChEBI | CHEBI:64754 |
| MDL Number | MFCD00150030 |
| SMILES | [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O |
| Synonym | lithium citrate tetrahydrate,unii-5z6e9k79yv,trilithium citrate tetrahydrate,lithium citrate usp,citric acid trilithium salt tetrahydrate,tri-lithium citrate tetrahydrate,lithium citrate tribasic tetrahydrate,lithonate tn,1,2,3-propanetricarboxylic acid, 2-hydroxy-trilithium salt tetrahydrate |
| IUPAC Name | trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate |
| InChI Key | HXGWMCJZLNWEBC-UHFFFAOYSA-K |
Tri-n-butyl phosphate, 98%, Thermo Scientific Chemicals
CAS: 126-73-8 Molecular Formula: C12H27O4P Molecular Weight (g/mol): 266.32 MDL Number: MFCD00009436 InChI Key: STCOOQWBFONSKY-UHFFFAOYSA-N Synonym: tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de PubChem CID: 31357 ChEBI: CHEBI:35019 IUPAC Name: tributyl phosphate SMILES: CCCCOP(=O)(OCCCC)OCCCC
| PubChem CID | 31357 |
|---|---|
| CAS | 126-73-8 |
| Molecular Weight (g/mol) | 266.32 |
| ChEBI | CHEBI:35019 |
| MDL Number | MFCD00009436 |
| SMILES | CCCCOP(=O)(OCCCC)OCCCC |
| Synonym | tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de |
| IUPAC Name | tributyl phosphate |
| InChI Key | STCOOQWBFONSKY-UHFFFAOYSA-N |
| Molecular Formula | C12H27O4P |
Tributyl phosphate, 99+%, Thermo Scientific Chemicals
CAS: 126-73-8 Molecular Formula: C12H27O4P Molecular Weight (g/mol): 266.32 MDL Number: MFCD00009436 InChI Key: STCOOQWBFONSKY-UHFFFAOYSA-N Synonym: tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de PubChem CID: 31357 ChEBI: CHEBI:35019 IUPAC Name: tributyl phosphate SMILES: CCCCOP(=O)(OCCCC)OCCCC
| PubChem CID | 31357 |
|---|---|
| CAS | 126-73-8 |
| Molecular Weight (g/mol) | 266.32 |
| ChEBI | CHEBI:35019 |
| MDL Number | MFCD00009436 |
| SMILES | CCCCOP(=O)(OCCCC)OCCCC |
| Synonym | tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de |
| IUPAC Name | tributyl phosphate |
| InChI Key | STCOOQWBFONSKY-UHFFFAOYSA-N |
| Molecular Formula | C12H27O4P |
(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals
CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.04 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O
| PubChem CID | 14017 |
|---|---|
| CAS | 1066-51-9 |
| Molecular Weight (g/mol) | 111.04 |
| ChEBI | CHEBI:28812 |
| MDL Number | MFCD00008105 |
| SMILES | C(N)P(=O)(O)O |
| Synonym | aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl |
| IUPAC Name | aminomethylphosphonic acid |
| InChI Key | MGRVRXRGTBOSHW-UHFFFAOYSA-N |
| Molecular Formula | CH6NO3P |
Methyle3-cyanobenzoate, 95%, Thermo Scientific™
CAS: 13531-48-1 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00220156 InChI Key: XPBHWSMZTSSEJE-UHFFFAOYSA-N Synonym: methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3 PubChem CID: 83554 IUPAC Name: methyl 3-cyanobenzoate SMILES: COC(=O)C1=CC=CC(=C1)C#N
| PubChem CID | 83554 |
|---|---|
| CAS | 13531-48-1 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00220156 |
| SMILES | COC(=O)C1=CC=CC(=C1)C#N |
| Synonym | methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3 |
| IUPAC Name | methyl 3-cyanobenzoate |
| InChI Key | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Sodium n-hexadecyl sulfate, 99%, Thermo Scientific Chemicals
CAS: 1120-01-0 Molecular Formula: C16H33NaO3S Molecular Weight (g/mol): 328.49 MDL Number: MFCD00047766 InChI Key: PNGBYKXZVCIZRN-UHFFFAOYSA-M Synonym: sodium hexadecyl sulfate,sodium cetyl sulfate,sodium n-hexadecyl sulfate,unii-3v3y3o7biq,conco sulfate c,avitex c,avitex sf,sodium hexyldecyl sulfate,tergitol anionic 7,3v3y3o7biq PubChem CID: 23695542 IUPAC Name: sodium;hexadecyl sulfate SMILES: [Na+].CCCCCCCCCCCCCCCCS([O-])(=O)=O
| PubChem CID | 23695542 |
|---|---|
| CAS | 1120-01-0 |
| Molecular Weight (g/mol) | 328.49 |
| MDL Number | MFCD00047766 |
| SMILES | [Na+].CCCCCCCCCCCCCCCCS([O-])(=O)=O |
| Synonym | sodium hexadecyl sulfate,sodium cetyl sulfate,sodium n-hexadecyl sulfate,unii-3v3y3o7biq,conco sulfate c,avitex c,avitex sf,sodium hexyldecyl sulfate,tergitol anionic 7,3v3y3o7biq |
| IUPAC Name | sodium;hexadecyl sulfate |
| InChI Key | PNGBYKXZVCIZRN-UHFFFAOYSA-M |
| Molecular Formula | C16H33NaO3S |
Ethyl fluoroacetate, 97%, Thermo Scientific Chemicals
CAS: 459-72-3 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.1 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF
| PubChem CID | 9988 |
|---|---|
| CAS | 459-72-3 |
| Molecular Weight (g/mol) | 106.1 |
| MDL Number | MFCD00000450 |
| SMILES | CCOC(=O)CF |
| Synonym | ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester |
| IUPAC Name | ethyl 2-fluoroacetate |
| InChI Key | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
| Molecular Formula | C4H7FO2 |
5-Hydroxyoxindole, 96%, Thermo Scientific Chemicals
CAS: 3416-18-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 InChI Key: ZGTUSQAQXWSMDW-UHFFFAOYSA-N Synonym: 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole PubChem CID: 76955 IUPAC Name: 5-hydroxy-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)O)NC1=O
| PubChem CID | 76955 |
|---|---|
| CAS | 3416-18-0 |
| Molecular Weight (g/mol) | 149.15 |
| SMILES | C1C2=C(C=CC(=C2)O)NC1=O |
| Synonym | 5-hydroxyoxindole,5-hydroxyindolin-2-one,5-hydroxy-1,3-dihydro-indol-2-one,2,3-dihydro-5-hydroxyindol-2-one,5-hydroxy-2-oxyindole,5-hydroxy-2-indolinone,5-hydroxy-1,3-dihydro-2h-indol-2-one,5-hydroxy-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-hydroxy,5-hydroxy-oxindole |
| IUPAC Name | 5-hydroxy-1,3-dihydroindol-2-one |
| InChI Key | ZGTUSQAQXWSMDW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
7-Deazaguanine, 90+%, Thermo Scientific™
CAS: 7355-55-7 Molecular Formula: C6H6N4O Molecular Weight (g/mol): 150.14 MDL Number: MFCD09033259 InChI Key: OLAFFPNXVJANFR-UHFFFAOYSA-N Synonym: 7-deazaguanine,2-amino-3,7-dihydropyrrolo 2,3-d pyrimidin-4-one,2-amino-7h-pyrrolo 2,3-d pyrimidin-4-ol,2-amino-4-hydroxypyrrolo 2,3-d pyrimidine,2-amino-3h-pyrrolo 2,3-d pyrimidin-4 7h-one,unii-gpl8t5zo3m,2-amino-3,7-dihydro-pyrrolo 2,3-d pyrimidin-4-one,gpl8t5zo3m,2-amino-1h-pyrrolo 2,3-d pyrimidin-4-ol,2-amino-1h-pyrrolo 2,3-d pyrimidin-4 7h-one PubChem CID: 96253 IUPAC Name: 2-amino-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one SMILES: NC1=NC(=O)C2=C(NC=C2)N1
| PubChem CID | 96253 |
|---|---|
| CAS | 7355-55-7 |
| Molecular Weight (g/mol) | 150.14 |
| MDL Number | MFCD09033259 |
| SMILES | NC1=NC(=O)C2=C(NC=C2)N1 |
| Synonym | 7-deazaguanine,2-amino-3,7-dihydropyrrolo 2,3-d pyrimidin-4-one,2-amino-7h-pyrrolo 2,3-d pyrimidin-4-ol,2-amino-4-hydroxypyrrolo 2,3-d pyrimidine,2-amino-3h-pyrrolo 2,3-d pyrimidin-4 7h-one,unii-gpl8t5zo3m,2-amino-3,7-dihydro-pyrrolo 2,3-d pyrimidin-4-one,gpl8t5zo3m,2-amino-1h-pyrrolo 2,3-d pyrimidin-4-ol,2-amino-1h-pyrrolo 2,3-d pyrimidin-4 7h-one |
| IUPAC Name | 2-amino-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| InChI Key | OLAFFPNXVJANFR-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O |
Cholesteryl pelargonate, +99%, Thermo Scientific Chemicals
CAS: 1182-66-7 Molecular Formula: C36H62O2 Molecular Weight (g/mol): 526.89 MDL Number: MFCD00003643 InChI Key: WCLNGBQPTVENHV-MKQVXYPISA-N Synonym: cholesteryl pelargonate,cholesteryl nonanoate,cholesterol pelargonate,unii-4313o7p4xw,5-cholesten-3beta-ol 3-nonanoate,cholesterol, nonanoate,3beta-hydroxy-5-cholestene 3-nonanoate,nonanoic acid cholesterol ester,pelargonic acid cholesterol ester,cholest-5-ene-3-beta-yl nonanoate PubChem CID: 2723614 IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate SMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
| PubChem CID | 2723614 |
|---|---|
| CAS | 1182-66-7 |
| Molecular Weight (g/mol) | 526.89 |
| MDL Number | MFCD00003643 |
| SMILES | CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| Synonym | cholesteryl pelargonate,cholesteryl nonanoate,cholesterol pelargonate,unii-4313o7p4xw,5-cholesten-3beta-ol 3-nonanoate,cholesterol, nonanoate,3beta-hydroxy-5-cholestene 3-nonanoate,nonanoic acid cholesterol ester,pelargonic acid cholesterol ester,cholest-5-ene-3-beta-yl nonanoate |
| IUPAC Name | [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate |
| InChI Key | WCLNGBQPTVENHV-MKQVXYPISA-N |
| Molecular Formula | C36H62O2 |
3,4-Diaminobenzhydrazide, 98%, Thermo Scientific Chemicals
CAS: 103956-09-8 Molecular Formula: C7H10N4O Molecular Weight (g/mol): 166.184 MDL Number: MFCD00017069 InChI Key: YGCXQTYRSKMILM-UHFFFAOYSA-N Synonym: 3,4-diaminobenzhydrazide,4-???benzene-1,2-diamine,acmc-20anfu,3,4-bis azanyl benzohydrazide,benzoic acid,3,4-diamino-,hydrazide,benzoic acid,3,4-diamino-, hydrazide PubChem CID: 4530104 IUPAC Name: 3,4-diaminobenzohydrazide SMILES: C1=CC(=C(C=C1C(=O)NN)N)N
| PubChem CID | 4530104 |
|---|---|
| CAS | 103956-09-8 |
| Molecular Weight (g/mol) | 166.184 |
| MDL Number | MFCD00017069 |
| SMILES | C1=CC(=C(C=C1C(=O)NN)N)N |
| Synonym | 3,4-diaminobenzhydrazide,4-???benzene-1,2-diamine,acmc-20anfu,3,4-bis azanyl benzohydrazide,benzoic acid,3,4-diamino-,hydrazide,benzoic acid,3,4-diamino-, hydrazide |
| IUPAC Name | 3,4-diaminobenzohydrazide |
| InChI Key | YGCXQTYRSKMILM-UHFFFAOYSA-N |
| Molecular Formula | C7H10N4O |
N-Methylphthalimide, 98%, Thermo Scientific Chemicals
CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00023063 InChI Key: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N Synonym: n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u PubChem CID: 11074 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11074 |
|---|---|
| CAS | 550-44-7 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00023063 |
| SMILES | CN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u |
| IUPAC Name | 2-methylisoindole-1,3-dione |
| InChI Key | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Strontium oxalate, 95%, Thermo Scientific Chemicals
CAS: 814-95-9 Molecular Formula: C2O4Sr Molecular Weight (g/mol): 175.638 MDL Number: MFCD00050803 InChI Key: KQAGKTURZUKUCH-UHFFFAOYSA-L Synonym: strontium oxalate,unii-7iaw7e69ni,7iaw7e69ni,strontium oxalate, src2o4,ethanedioic acid, strontium salt 1:1,oxalic acid, monostrontium salt,strontium 2+ ion oxalate,oxalic acid, strontium salt 1:1 8ci PubChem CID: 69947 IUPAC Name: strontium;oxalate SMILES: C(=O)(C(=O)[O-])[O-].[Sr+2]
| PubChem CID | 69947 |
|---|---|
| CAS | 814-95-9 |
| Molecular Weight (g/mol) | 175.638 |
| MDL Number | MFCD00050803 |
| SMILES | C(=O)(C(=O)[O-])[O-].[Sr+2] |
| Synonym | strontium oxalate,unii-7iaw7e69ni,7iaw7e69ni,strontium oxalate, src2o4,ethanedioic acid, strontium salt 1:1,oxalic acid, monostrontium salt,strontium 2+ ion oxalate,oxalic acid, strontium salt 1:1 8ci |
| IUPAC Name | strontium;oxalate |
| InChI Key | KQAGKTURZUKUCH-UHFFFAOYSA-L |
| Molecular Formula | C2O4Sr |