Organoheterocyclic compounds
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Ternidazole, 95%, Thermo Scientific Chemicals
CAS: 1077-93-6 Molecular Formula: C7H11N3O3 Molecular Weight (g/mol): 185.18 InChI Key: DUOHVNSMLSPTMI-UHFFFAOYSA-N Synonym: ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin PubChem CID: 68944 IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol SMILES: CC1=NC=C(N1CCCO)[N+](=O)[O-]
| PubChem CID | 68944 |
|---|---|
| CAS | 1077-93-6 |
| Molecular Weight (g/mol) | 185.18 |
| SMILES | CC1=NC=C(N1CCCO)[N+](=O)[O-] |
| Synonym | ternidazole,unii-4n8r018qb0,1-3-hydroxypropyl-2-methyl-5-nitro-1h-imidazole,3-2-methyl-5-nitroimidazol-1-yl propan-1-ol,ternidazol,ternidazolum,ternidazole inn,ternidazol inn-spanish,ternidazolum inn-latin |
| IUPAC Name | 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol |
| InChI Key | DUOHVNSMLSPTMI-UHFFFAOYSA-N |
| Molecular Formula | C7H11N3O3 |
Sorbitan Monostearate, FCC, 27-34%, Spectrum™ Chemical
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CAS: 1338-41-6 Molecular Formula: C24H46O6 Molecular Weight (g/mol): 430.63 MDL Number: MFCD00005366,MFCD00005366 InChI Key: HVUMOYIDDBPOLL-IIZJTUPISA-N IUPAC Name: 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
| CAS | 1338-41-6 |
|---|---|
| Molecular Weight (g/mol) | 430.63 |
| MDL Number | MFCD00005366,MFCD00005366 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O |
| IUPAC Name | 2-[(2R,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl octadecanoate |
| InChI Key | HVUMOYIDDBPOLL-IIZJTUPISA-N |
| Molecular Formula | C24H46O6 |
6-Fluoropyridine-2-carboxylic acid, 97%
CAS: 402-69-7 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD02181193 InChI Key: DIEMCUFYSOEIDU-UHFFFAOYSA-N Synonym: 6-fluoropicolinic acid,2-fluoropyridine-6-carboxylic acid,6-fluoro-2-pyridinecarboxylic acid,2-fluoro-6-pyridinecarboxylic acid,2-fluoro-6-carboxypyridine,6-fluoro-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 6-fluoro,6-fluor-2-pyridincarbons,pubchem13570,6-fluoro picolinic acid PubChem CID: 226027 IUPAC Name: 6-fluoropyridine-2-carboxylic acid SMILES: OC(=O)C1=CC=CC(F)=N1
| PubChem CID | 226027 |
|---|---|
| CAS | 402-69-7 |
| Molecular Weight (g/mol) | 141.10 |
| MDL Number | MFCD02181193 |
| SMILES | OC(=O)C1=CC=CC(F)=N1 |
| Synonym | 6-fluoropicolinic acid,2-fluoropyridine-6-carboxylic acid,6-fluoro-2-pyridinecarboxylic acid,2-fluoro-6-pyridinecarboxylic acid,2-fluoro-6-carboxypyridine,6-fluoro-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 6-fluoro,6-fluor-2-pyridincarbons,pubchem13570,6-fluoro picolinic acid |
| IUPAC Name | 6-fluoropyridine-2-carboxylic acid |
| InChI Key | DIEMCUFYSOEIDU-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO2 |
4-Iodotetrahydrothiopyran, 97%, Thermo Scientific™
CAS: 281204-90-8 Molecular Formula: C5H9IS Molecular Weight (g/mol): 228.09 MDL Number: MFCD09025908 InChI Key: JVBIONNYIWEILC-UHFFFAOYSA-N Synonym: 4-iodotetrahydrothiopyran,4-iodotetrahydro-2h-thiopyran,2h-thiopyran,tetrahydro-4-iodo PubChem CID: 18525911 IUPAC Name: 4-iodothiane SMILES: IC1CCSCC1
| PubChem CID | 18525911 |
|---|---|
| CAS | 281204-90-8 |
| Molecular Weight (g/mol) | 228.09 |
| MDL Number | MFCD09025908 |
| SMILES | IC1CCSCC1 |
| Synonym | 4-iodotetrahydrothiopyran,4-iodotetrahydro-2h-thiopyran,2h-thiopyran,tetrahydro-4-iodo |
| IUPAC Name | 4-iodothiane |
| InChI Key | JVBIONNYIWEILC-UHFFFAOYSA-N |
| Molecular Formula | C5H9IS |
5-Amino-1-methyl-1H-indazole, 97%, Thermo Scientific™
CAS: 50593-24-3 Molecular Formula: C8H9N3 Molecular Weight (g/mol): 147.18 MDL Number: MFCD03305455 InChI Key: PYOFNPHTKBSXOM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-5-amine,5-amino-1-methyl-1h-indazole,1-methyl-1h-indazol-5-ylamine,1h-indazol-5-amine, 1-methyl,5-amino-1-methylindazole,1-methyl-1h-indazole-5-amine,pubchem20587,1-methyl-5-aminoindazol,1-methyl-5-indazolamine,1-methyl-5-aminoindazole PubChem CID: 2768032 IUPAC Name: 1-methylindazol-5-amine SMILES: CN1C2=C(C=C(C=C2)N)C=N1
| PubChem CID | 2768032 |
|---|---|
| CAS | 50593-24-3 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD03305455 |
| SMILES | CN1C2=C(C=C(C=C2)N)C=N1 |
| Synonym | 1-methyl-1h-indazol-5-amine,5-amino-1-methyl-1h-indazole,1-methyl-1h-indazol-5-ylamine,1h-indazol-5-amine, 1-methyl,5-amino-1-methylindazole,1-methyl-1h-indazole-5-amine,pubchem20587,1-methyl-5-aminoindazol,1-methyl-5-indazolamine,1-methyl-5-aminoindazole |
| IUPAC Name | 1-methylindazol-5-amine |
| InChI Key | PYOFNPHTKBSXOM-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3 |
5-Iodo-1H-indazole, 95%
CAS: 55919-82-9 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.03 MDL Number: MFCD07781642 InChI Key: CGCHCLICSHIAAM-UHFFFAOYSA-N Synonym: 5-iodoindazole,1h-indazole, 5-iodo,5-iodo 1h indazole,5-iodanyl-1h-indazole,5-iodio-1h-indazole,pubchem20575,d07ovy,indazole, 5-iodo,5-iodo-1h-indazole PubChem CID: 21894739 IUPAC Name: 5-iodo-1H-indazole SMILES: C1=CC2=C(C=C1I)C=NN2
| PubChem CID | 21894739 |
|---|---|
| CAS | 55919-82-9 |
| Molecular Weight (g/mol) | 244.03 |
| MDL Number | MFCD07781642 |
| SMILES | C1=CC2=C(C=C1I)C=NN2 |
| Synonym | 5-iodoindazole,1h-indazole, 5-iodo,5-iodo 1h indazole,5-iodanyl-1h-indazole,5-iodio-1h-indazole,pubchem20575,d07ovy,indazole, 5-iodo,5-iodo-1h-indazole |
| IUPAC Name | 5-iodo-1H-indazole |
| InChI Key | CGCHCLICSHIAAM-UHFFFAOYSA-N |
| Molecular Formula | C7H5IN2 |
4-Amino-2-hydroxypyridine, 97%
CAS: 38767-72-5 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 InChI Key: SBQVQYPJWLJRQT-UHFFFAOYSA-N PubChem CID: 573530 IUPAC Name: 4-amino-1H-pyridin-2-one SMILES: C1=CNC(=O)C=C1N
| PubChem CID | 573530 |
|---|---|
| CAS | 38767-72-5 |
| Molecular Weight (g/mol) | 110.12 |
| SMILES | C1=CNC(=O)C=C1N |
| IUPAC Name | 4-amino-1H-pyridin-2-one |
| InChI Key | SBQVQYPJWLJRQT-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
2-Hydroxy-5-iodopyridine, 97%, Thermo Scientific™
CAS: 13472-79-2 Molecular Formula: C5H4INO Molecular Weight (g/mol): 220.99 InChI Key: ZDJUNNCVIDKJAN-UHFFFAOYSA-N Synonym: 2-hydroxy-5-iodopyridine,5-iodopyridin-2-ol,5-iodopyridin-2 1h-one,5-iodo-pyridin-2-ol,5-iodo-2-pyridone,2 1h-pyridinone, 5-iodo,5-iodo-2-pyridinol,5-jod-2-pyridon,5-iodo-2-pyridol,5-iodopyridin-2-one PubChem CID: 459500 IUPAC Name: 5-iodo-1H-pyridin-2-one SMILES: C1=CC(=O)NC=C1I
| PubChem CID | 459500 |
|---|---|
| CAS | 13472-79-2 |
| Molecular Weight (g/mol) | 220.99 |
| SMILES | C1=CC(=O)NC=C1I |
| Synonym | 2-hydroxy-5-iodopyridine,5-iodopyridin-2-ol,5-iodopyridin-2 1h-one,5-iodo-pyridin-2-ol,5-iodo-2-pyridone,2 1h-pyridinone, 5-iodo,5-iodo-2-pyridinol,5-jod-2-pyridon,5-iodo-2-pyridol,5-iodopyridin-2-one |
| IUPAC Name | 5-iodo-1H-pyridin-2-one |
| InChI Key | ZDJUNNCVIDKJAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4INO |
Methyle5-methyl-3-isoxazolecarboxylate, 97%, Thermo Scientific™
CAS: 19788-35-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.13 MDL Number: MFCD00015895 InChI Key: MVHHQOCEOUNTID-UHFFFAOYSA-N Synonym: methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r PubChem CID: 88245 IUPAC Name: methyl 5-methyl-1,2-oxazole-3-carboxylate SMILES: COC(=O)C1=NOC(C)=C1
| PubChem CID | 88245 |
|---|---|
| CAS | 19788-35-3 |
| Molecular Weight (g/mol) | 141.13 |
| MDL Number | MFCD00015895 |
| SMILES | COC(=O)C1=NOC(C)=C1 |
| Synonym | methyl 5-methylisoxazole-3-carboxylate,methyl 5-methyl-3-isoxazolecarboxylate,3-isoxazolecarboxylic acid, 5-methyl-, methyl ester,5-methyl-3-isoxazolecarboxylic acid methyl ester,methyl 5-methyl-3-isoxazole carboxylate,methyl-5-methyl-3-isoxazole carboxylate,5-methylisoxazole-3-carboxylic acid methyl ester,5-methyl-isoxazole-3-carboxylic acid methyl ester,acmc-209xf5,ksc489s1r |
| IUPAC Name | methyl 5-methyl-1,2-oxazole-3-carboxylate |
| InChI Key | MVHHQOCEOUNTID-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3 |
Isonipecotamide, 98%
CAS: 39546-32-2 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00038012 InChI Key: DPBWFNDFMCCGGJ-UHFFFAOYSA-N Synonym: isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide PubChem CID: 3772 IUPAC Name: piperidine-4-carboxamide SMILES: NC(=O)C1CCNCC1
| PubChem CID | 3772 |
|---|---|
| CAS | 39546-32-2 |
| Molecular Weight (g/mol) | 128.18 |
| MDL Number | MFCD00038012 |
| SMILES | NC(=O)C1CCNCC1 |
| Synonym | isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide |
| IUPAC Name | piperidine-4-carboxamide |
| InChI Key | DPBWFNDFMCCGGJ-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine, 97%, Thermo Scientific™
CAS: 131728-94-4 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00052603 InChI Key: FMONGDHUPLQOCP-UHFFFAOYSA-N Synonym: 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin PubChem CID: 2780137 IUPAC Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine SMILES: FC1=CC(CCl)=C2OCOCC2=C1
| PubChem CID | 2780137 |
|---|---|
| CAS | 131728-94-4 |
| Molecular Weight (g/mol) | 202.61 |
| MDL Number | MFCD00052603 |
| SMILES | FC1=CC(CCl)=C2OCOCC2=C1 |
| Synonym | 8-chloromethyl-6-fluoro-4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-4h-benzo d 1,3 dioxine,4h-1,3-benzodioxin,8-chloromethyl-6-fluoro,8-chloromethyl-6-fluoro-2,4-dihydro-1,3-benzodioxine,8-chloromethyl-6-fluorobenzo-1,3-dioxane,acmc-1c5x1,8-chloromethyl-6-fluoro-4h-benzo 1,3 dioxine,8-chloromethyl-6-fluoro-2h,4h-1,3-benzodioxine,8-chloromethyl-6-fluoro-2h,4h-benzo e 1,3-dioxin |
| IUPAC Name | 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine |
| InChI Key | FMONGDHUPLQOCP-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClFO2 |
1,3,5-Trimethyl-1H-pyrazol-4-amine, 97%, Thermo Scientific™
CAS: 28466-21-9 Molecular Formula: C6H11N3 Molecular Weight (g/mol): 125.175 MDL Number: MFCD00052883 InChI Key: SSDGMKHZMNTWLS-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine PubChem CID: 161603 IUPAC Name: 1,3,5-trimethylpyrazol-4-amine SMILES: CC1=C(C(=NN1C)C)N
| PubChem CID | 161603 |
|---|---|
| CAS | 28466-21-9 |
| Molecular Weight (g/mol) | 125.175 |
| MDL Number | MFCD00052883 |
| SMILES | CC1=C(C(=NN1C)C)N |
| Synonym | 1,3,5-trimethyl-1h-pyrazol-4-amine,4-amino-1,3,5-trimethylpyrazole,trimethyl-1h-pyrazol-4-amine,pyrazole, 4-amino-1,3,5-trimethyl,4-amino-1,3,5-trimethyl-1h-pyrazole,trimethylpyrazol-4-amine,1,3,5-trimethyl-1h-pyrazol-4-ylamine,1h-pyrazol-4-amine, 1,3,5-trimethyl,1,3,5-trimethyl-1h-pyrazole-4-amine,1,3,5-trimethylpyrazole-4-ylamine |
| IUPAC Name | 1,3,5-trimethylpyrazol-4-amine |
| InChI Key | SSDGMKHZMNTWLS-UHFFFAOYSA-N |
| Molecular Formula | C6H11N3 |
6,9-Dichloro-2-methoxyacridine, 98%
CAS: 86-38-4 Molecular Formula: C14H9Cl2NO Molecular Weight (g/mol): 278.132 MDL Number: MFCD00005028 InChI Key: RYRNQWYNHLLOGX-UHFFFAOYSA-N Synonym: halocrin,3,9-dichloro-7-methoxyacridine,halocrine,6.9-dichloro-2-methoxyacridine,2-methoxy-6,9-dichloroacridine,acridine,9-dichloro-2-methoxy,acridine, 6,9-dichloro-2-methoxy,bidd:gt0206,6,9dichloro-2-methoxyacridine,6,9-dichloro-2-methoxy-acridine PubChem CID: 66577 IUPAC Name: 6,9-dichloro-2-methoxyacridine SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl
| PubChem CID | 66577 |
|---|---|
| CAS | 86-38-4 |
| Molecular Weight (g/mol) | 278.132 |
| MDL Number | MFCD00005028 |
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl |
| Synonym | halocrin,3,9-dichloro-7-methoxyacridine,halocrine,6.9-dichloro-2-methoxyacridine,2-methoxy-6,9-dichloroacridine,acridine,9-dichloro-2-methoxy,acridine, 6,9-dichloro-2-methoxy,bidd:gt0206,6,9dichloro-2-methoxyacridine,6,9-dichloro-2-methoxy-acridine |
| IUPAC Name | 6,9-dichloro-2-methoxyacridine |
| InChI Key | RYRNQWYNHLLOGX-UHFFFAOYSA-N |
| Molecular Formula | C14H9Cl2NO |
5-Amino-4H-1,2,4-triazole-3-thiol, tech., Thermo Scientific™
CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione SMILES: NC1=NC(=S)NN1
| PubChem CID | 2723869 |
|---|---|
| CAS | 16691-43-3 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005231 |
| SMILES | NC1=NC(=S)NN1 |
| Synonym | 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z |
| IUPAC Name | 5-amino-1,2-dihydro-1,2,4-triazole-3-thione |
| InChI Key | WZUUZPAYWFIBDF-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4S |
8-Hydroxyquinoline-5-sulfonic acid hydrate, 98%
CAS: 207386-92-3 Molecular Formula: C9H7NO4S Molecular Weight (g/mol): 225.22 MDL Number: MFCD00149482 InChI Key: LGDFHDKSYGVKDC-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 PubChem CID: 2723649 IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid;hydrate SMILES: OC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O
| PubChem CID | 2723649 |
|---|---|
| CAS | 207386-92-3 |
| Molecular Weight (g/mol) | 225.22 |
| MDL Number | MFCD00149482 |
| SMILES | OC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O |
| Synonym | 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 |
| IUPAC Name | 8-hydroxyquinoline-5-sulfonic acid;hydrate |
| InChI Key | LGDFHDKSYGVKDC-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO4S |