Organic acids and derivatives
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Methyl 2-bromo-3-fluoropropionate, 97%
CAS: 1537-52-6 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.99 MDL Number: MFCD09800641 InChI Key: BXTYDNLOFHBZFS-UHFFFAOYNA-N Synonym: 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester PubChem CID: 5271584 IUPAC Name: methyl 2-bromo-3-fluoropropanoate SMILES: COC(=O)C(Br)CF
| PubChem CID | 5271584 |
|---|---|
| CAS | 1537-52-6 |
| Molecular Weight (g/mol) | 184.99 |
| MDL Number | MFCD09800641 |
| SMILES | COC(=O)C(Br)CF |
| Synonym | 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester |
| IUPAC Name | methyl 2-bromo-3-fluoropropanoate |
| InChI Key | BXTYDNLOFHBZFS-UHFFFAOYNA-N |
| Molecular Formula | C4H6BrFO2 |
Sodium Ascorbate, FCC, 99-101%, Spectrum™ Chemical
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CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| CAS | 134-03-2 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Methyl 3-oxocyclobutanecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 695-95-4 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00604222 InChI Key: IHLHSAIBOSSHQV-UHFFFAOYSA-N Synonym: methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester PubChem CID: 13992367 IUPAC Name: methyl 3-oxocyclobutane-1-carboxylate SMILES: COC(=O)C1CC(=O)C1
| PubChem CID | 13992367 |
|---|---|
| CAS | 695-95-4 |
| Molecular Weight (g/mol) | 128.13 |
| MDL Number | MFCD00604222 |
| SMILES | COC(=O)C1CC(=O)C1 |
| Synonym | methyl 3-oxocyclobutanecarboxylate,methyl 3-oxo-cyclobutanecarboxylate,3-methoxycarbonylcyclobutanone,cyclobutanecarboxylic acid, 3-oxo-, methyl ester,3-oxocyclobutanecarboxylic acid methyl ester,ksc630k4p,methyl 3-oxocyclobutane carboxylate,3-oxo-1-cyclobutanecarboxylic acid methyl ester,cyclobutanecarboxylicacid, 3-oxo-, methyl ester |
| IUPAC Name | methyl 3-oxocyclobutane-1-carboxylate |
| InChI Key | IHLHSAIBOSSHQV-UHFFFAOYSA-N |
| Molecular Formula | C6H8O3 |
N-(3-hydroxypropyl)phthalimide, 99%
CAS: 883-44-3 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00023097 InChI Key: BSMILTTURCQDGJ-UHFFFAOYSA-N Synonym: n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg PubChem CID: 70160 IUPAC Name: 2-(3-hydroxypropyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO
| PubChem CID | 70160 |
|---|---|
| CAS | 883-44-3 |
| Molecular Weight (g/mol) | 205.21 |
| MDL Number | MFCD00023097 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO |
| Synonym | n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg |
| IUPAC Name | 2-(3-hydroxypropyl)isoindole-1,3-dione |
| InChI Key | BSMILTTURCQDGJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
1,3-Dibromo-5,5-dimethylhydantoin, 98%
CAS: 77-48-5 Molecular Formula: C5H6Br2N2O2 Molecular Weight (g/mol): 285.91 MDL Number: MFCD00003189 InChI Key: VRLDVERQJMEPIF-UHFFFAOYSA-N Synonym: 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz PubChem CID: 6479 IUPAC Name: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Br)Br)C
| PubChem CID | 6479 |
|---|---|
| CAS | 77-48-5 |
| Molecular Weight (g/mol) | 285.91 |
| MDL Number | MFCD00003189 |
| SMILES | CC1(C(=O)N(C(=O)N1Br)Br)C |
| Synonym | 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz |
| IUPAC Name | 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Br2N2O2 |
1,5,5-Trimethylhydantoin, 98%
CAS: 6851-81-6 Molecular Formula: C6H10N2O2 Molecular Weight (g/mol): 142.158 MDL Number: MFCD00040439 InChI Key: ZNYIPTYJBRGSSL-UHFFFAOYSA-N Synonym: 1,5,5-trimethylhydantoin,3,4,4-trimethyl-2,5-dioxoimidazolidine,1,5,5-trimethyl-imidazolidine-2,4-dione,1,5,5-trimethyl-1,3-diazolidine-2,4-dione,hydantoin, 1,5,5-trimethyl,2,4-imidazolidinedione, 1,5,5-trimethyl,1,5,5 trimethylhydantoin,acmc-209o3u,1,5,5-trimethyl-hydantoin,1,5,5-trimethyl hydantoin PubChem CID: 81295 IUPAC Name: 1,5,5-trimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)NC(=O)N1C)C
| PubChem CID | 81295 |
|---|---|
| CAS | 6851-81-6 |
| Molecular Weight (g/mol) | 142.158 |
| MDL Number | MFCD00040439 |
| SMILES | CC1(C(=O)NC(=O)N1C)C |
| Synonym | 1,5,5-trimethylhydantoin,3,4,4-trimethyl-2,5-dioxoimidazolidine,1,5,5-trimethyl-imidazolidine-2,4-dione,1,5,5-trimethyl-1,3-diazolidine-2,4-dione,hydantoin, 1,5,5-trimethyl,2,4-imidazolidinedione, 1,5,5-trimethyl,1,5,5 trimethylhydantoin,acmc-209o3u,1,5,5-trimethyl-hydantoin,1,5,5-trimethyl hydantoin |
| IUPAC Name | 1,5,5-trimethylimidazolidine-2,4-dione |
| InChI Key | ZNYIPTYJBRGSSL-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O2 |
N-Methylphthalimide, 98%
CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 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 |
| 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 |
Locostatin
CAS: 133812-16-5 Molecular Formula: C14H15NO3 Molecular Weight (g/mol): 245.278 MDL Number: MFCD00278769 InChI Key: UTZAFVPPWUIPBH-QSLRECBCSA-N Synonym: locostatin,s-4-benzyl-3-but-2-enoyl oxazolidin-2-one,s,e-4-benzyl-3-but-2-enoyl oxazolidin-2-one,4s-n-crotonyl-4-benzyl-2-oxazolidinone,4s-3-e-but-2-enoyl-4-benzyl-2-oxazolidinone,4s-4-benzyl-3-e-but-2-enoyl-1,3-oxazolidin-2-one,cell sheet migration inhibitor, locostatin,4s-4-benzyl-3-2e-but-2-enoyl-1,3-oxazolidin-2-one,locostatin hplc,3-crotonyl-4beta-benzyloxazolidine-2-one PubChem CID: 5702600 IUPAC Name: (4S)-4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one SMILES: CC=CC(=O)N1C(COC1=O)CC2=CC=CC=C2
| PubChem CID | 5702600 |
|---|---|
| CAS | 133812-16-5 |
| Molecular Weight (g/mol) | 245.278 |
| MDL Number | MFCD00278769 |
| SMILES | CC=CC(=O)N1C(COC1=O)CC2=CC=CC=C2 |
| Synonym | locostatin,s-4-benzyl-3-but-2-enoyl oxazolidin-2-one,s,e-4-benzyl-3-but-2-enoyl oxazolidin-2-one,4s-n-crotonyl-4-benzyl-2-oxazolidinone,4s-3-e-but-2-enoyl-4-benzyl-2-oxazolidinone,4s-4-benzyl-3-e-but-2-enoyl-1,3-oxazolidin-2-one,cell sheet migration inhibitor, locostatin,4s-4-benzyl-3-2e-but-2-enoyl-1,3-oxazolidin-2-one,locostatin hplc,3-crotonyl-4beta-benzyloxazolidine-2-one |
| IUPAC Name | (4S)-4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one |
| InChI Key | UTZAFVPPWUIPBH-QSLRECBCSA-N |
| Molecular Formula | C14H15NO3 |
N-(3-Hydroxypropyl)phthalimide, 98%
CAS: 883-44-3 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.213 MDL Number: MFCD00023097 InChI Key: BSMILTTURCQDGJ-UHFFFAOYSA-N Synonym: n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg PubChem CID: 70160 IUPAC Name: 2-(3-hydroxypropyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO
| PubChem CID | 70160 |
|---|---|
| CAS | 883-44-3 |
| Molecular Weight (g/mol) | 205.213 |
| MDL Number | MFCD00023097 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO |
| Synonym | n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg |
| IUPAC Name | 2-(3-hydroxypropyl)isoindole-1,3-dione |
| InChI Key | BSMILTTURCQDGJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
| CAS | 6097-08-1 |
|---|---|
| MDL Number | MFCD00671372 |
4-Chloro-5-nitrophthalimide, 95%, Thermo Scientific™
CAS: 6015-57-2 Molecular Formula: C8H3ClN2O4 Molecular Weight (g/mol): 226.572 MDL Number: MFCD00052331 InChI Key: ADLVDYMTBOSDFE-UHFFFAOYSA-N PubChem CID: 2801129 IUPAC Name: 5-chloro-6-nitroisoindole-1,3-dione SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O
| PubChem CID | 2801129 |
|---|---|
| CAS | 6015-57-2 |
| Molecular Weight (g/mol) | 226.572 |
| MDL Number | MFCD00052331 |
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O |
| IUPAC Name | 5-chloro-6-nitroisoindole-1,3-dione |
| InChI Key | ADLVDYMTBOSDFE-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClN2O4 |
N-Carbethoxyphthalimide, 99+%
CAS: 22509-74-6 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.2 MDL Number: MFCD00005893 InChI Key: VRHAQNTWKSVEEC-UHFFFAOYSA-N Synonym: n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester PubChem CID: 31187 IUPAC Name: ethyl 1,3-dioxoisoindole-2-carboxylate SMILES: CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 31187 |
|---|---|
| CAS | 22509-74-6 |
| Molecular Weight (g/mol) | 219.2 |
| MDL Number | MFCD00005893 |
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-carbethoxyphthalimide,n-ethoxycarbonylphthalimide,n-carboethoxyphthalimide,phthalimide-n-carbethoxy,ethyl n-phthaloylcarbamate,n-ethoxycarbonyl phthalimide,2h-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester,ethyl 1,3-dioxoisoindoline-2-carboxylate,n-karbetoksi-ftalimid,2-isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester |
| IUPAC Name | ethyl 1,3-dioxoisoindole-2-carboxylate |
| InChI Key | VRHAQNTWKSVEEC-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO4 |
Hydantoin-5-acetic acid, 98%
CAS: 5427-26-9 Molecular Formula: C5H6N2O4 Molecular Weight (g/mol): 158.11 MDL Number: MFCD00005267 InChI Key: DQQLZADYSWBCOX-UHFFFAOYNA-N Synonym: hydantoin-5-acetic acid,5-hydantoinacetic acid,2,5-dioxoimidazolidin-4-yl acetic acid,5-hydantoin acetic acid,2-2,5-dioxoimidazolidin-4-yl acetic acid,4-imidazolidineacetic acid, 2,5-dioxo,2,5-dioxo-1,3-diazolidin-4-ylacetic acid,2-2,5-dioxo-1,3-diazolidin-4-yl acetic acid,5-carboxymethylhydantoin,acmc-20akr6 PubChem CID: 95492 IUPAC Name: 2-(2,5-dioxoimidazolidin-4-yl)acetic acid SMILES: OC(=O)CC1NC(=O)NC1=O
| PubChem CID | 95492 |
|---|---|
| CAS | 5427-26-9 |
| Molecular Weight (g/mol) | 158.11 |
| MDL Number | MFCD00005267 |
| SMILES | OC(=O)CC1NC(=O)NC1=O |
| Synonym | hydantoin-5-acetic acid,5-hydantoinacetic acid,2,5-dioxoimidazolidin-4-yl acetic acid,5-hydantoin acetic acid,2-2,5-dioxoimidazolidin-4-yl acetic acid,4-imidazolidineacetic acid, 2,5-dioxo,2,5-dioxo-1,3-diazolidin-4-ylacetic acid,2-2,5-dioxo-1,3-diazolidin-4-yl acetic acid,5-carboxymethylhydantoin,acmc-20akr6 |
| IUPAC Name | 2-(2,5-dioxoimidazolidin-4-yl)acetic acid |
| InChI Key | DQQLZADYSWBCOX-UHFFFAOYNA-N |
| Molecular Formula | C5H6N2O4 |
Sodium D-gluconate, 97%
CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.137 MDL Number: MFCD00064210 InChI Key: UPMFZISCCZSDND-JJKGCWMISA-M Synonym: sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t PubChem CID: 23672301 ChEBI: CHEBI:84997 IUPAC Name: sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
| PubChem CID | 23672301 |
|---|---|
| CAS | 527-07-1 |
| Molecular Weight (g/mol) | 218.137 |
| ChEBI | CHEBI:84997 |
| MDL Number | MFCD00064210 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+] |
| Synonym | sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t |
| IUPAC Name | sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-JJKGCWMISA-M |
| Molecular Formula | C6H11NaO7 |
2,2,2-Trifluoroethyl trifluoromethanesulfonate, 97%
CAS: 6226-25-1 Molecular Formula: C3H2F6O3S Molecular Weight (g/mol): 232.1 InChI Key: RTMMSCJWQYWMNK-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate PubChem CID: 80366 IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 80366 |
|---|---|
| CAS | 6226-25-1 |
| Molecular Weight (g/mol) | 232.1 |
| SMILES | C(C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate |
| IUPAC Name | 2,2,2-trifluoroethyl trifluoromethanesulfonate |
| InChI Key | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| Molecular Formula | C3H2F6O3S |