Benzenoids
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2,6-Di-tert-butyl-4-methoxyphenol 98.0+%, TCI America™
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CAS: 489-01-0 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00008824 InChI Key: SLUKQUGVTITNSY-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methoxyphenol,3,5-di-tert-butyl-4-hydroxyanisole,topanol 354,phenol, 2,6-bis 1,1-dimethylethyl-4-methoxy,3,5-di-t-butyl-4-hydroxyanisole,unii-616072tmxy,ccris 5219,2,6-bis 1,1-dimethylethyl-4-methoxyphenol,phenol, 2,6-di-tert-butyl-4-methoxy,chembl98253 PubChem CID: 10269 IUPAC Name: 2,6-ditert-butyl-4-methoxyphenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
| PubChem CID | 10269 |
|---|---|
| CAS | 489-01-0 |
| Molecular Weight (g/mol) | 236.355 |
| MDL Number | MFCD00008824 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC |
| Synonym | 2,6-di-tert-butyl-4-methoxyphenol,3,5-di-tert-butyl-4-hydroxyanisole,topanol 354,phenol, 2,6-bis 1,1-dimethylethyl-4-methoxy,3,5-di-t-butyl-4-hydroxyanisole,unii-616072tmxy,ccris 5219,2,6-bis 1,1-dimethylethyl-4-methoxyphenol,phenol, 2,6-di-tert-butyl-4-methoxy,chembl98253 |
| IUPAC Name | 2,6-ditert-butyl-4-methoxyphenol |
| InChI Key | SLUKQUGVTITNSY-UHFFFAOYSA-N |
| Molecular Formula | C15H24O2 |
4-Bromo-2,2-diphenylbutyronitrile 95.0+%, TCI America™
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CAS: 39186-58-8 Molecular Formula: C16H14BrN Molecular Weight (g/mol): 300.199 MDL Number: MFCD00001845 InChI Key: IGYSFJHVFHNOEI-UHFFFAOYSA-N Synonym: 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile PubChem CID: 96575 IUPAC Name: 4-bromo-2,2-diphenylbutanenitrile SMILES: C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2
| PubChem CID | 96575 |
|---|---|
| CAS | 39186-58-8 |
| Molecular Weight (g/mol) | 300.199 |
| MDL Number | MFCD00001845 |
| SMILES | C1=CC=C(C=C1)C(CCBr)(C#N)C2=CC=CC=C2 |
| Synonym | 4-bromo-2,2-diphenylbutyronitrile,2,2-diphenyl-4-bromobutyronitrile,4-bromo-2,2-diphenyl-butyronitrile,3-cyano-3,3-diphenylpropyl bromide,benzeneacetonitrile, .alpha.-2-bromoethyl-.alpha.-phenyl,acmc-1csza,butyronitrile,2-diphenyl,ksc495i2r,aronis25014,bromoethyl diphenyl acetonitrile |
| IUPAC Name | 4-bromo-2,2-diphenylbutanenitrile |
| InChI Key | IGYSFJHVFHNOEI-UHFFFAOYSA-N |
| Molecular Formula | C16H14BrN |
Methyl 3,4-Dihydroxyphenylacetate 98.0+%, TCI America™
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CAS: 25379-88-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00583539 InChI Key: UGFILLIGHGZLHE-UHFFFAOYSA-N Synonym: Catechol-4-acetic Acid Methyl Ester, 3,4-Dihydroxyphenylacetic Acid Methyl Ester, Homoprotocatechuic Acid Methyl Ester, Pyrocatechol-4-acetic Acid Methyl Ester PubChem CID: 11008556 IUPAC Name: methyl 2-(3,4-dihydroxyphenyl)acetate SMILES: COC(=O)CC1=CC(O)=C(O)C=C1
| PubChem CID | 11008556 |
|---|---|
| CAS | 25379-88-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00583539 |
| SMILES | COC(=O)CC1=CC(O)=C(O)C=C1 |
| Synonym | Catechol-4-acetic Acid Methyl Ester, 3,4-Dihydroxyphenylacetic Acid Methyl Ester, Homoprotocatechuic Acid Methyl Ester, Pyrocatechol-4-acetic Acid Methyl Ester |
| IUPAC Name | methyl 2-(3,4-dihydroxyphenyl)acetate |
| InChI Key | UGFILLIGHGZLHE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Phenylurethane 99.0+%, TCI America™
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CAS: 101-99-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00026806 InChI Key: LBKPGNUOUPTQKA-UHFFFAOYSA-N Synonym: n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate PubChem CID: 7591 IUPAC Name: ethyl N-phenylcarbamate SMILES: CCOC(=O)NC1=CC=CC=C1
| PubChem CID | 7591 |
|---|---|
| CAS | 101-99-5 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00026806 |
| SMILES | CCOC(=O)NC1=CC=CC=C1 |
| Synonym | n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate |
| IUPAC Name | ethyl N-phenylcarbamate |
| InChI Key | LBKPGNUOUPTQKA-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O
| PubChem CID | 19498 |
|---|---|
| CAS | 3724-10-5 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00029934 |
| SMILES | CSC1=CC=CC=C1C(=O)O |
| Synonym | 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french |
| IUPAC Name | 2-methylsulfanylbenzoic acid |
| InChI Key | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
3-Acetamidobenzoic Acid 99.0+%, TCI America™
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CAS: 587-48-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00013983 InChI Key: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC Name: 3-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O
| PubChem CID | 48847 |
|---|---|
| CAS | 587-48-4 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00013983 |
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide |
| IUPAC Name | 3-acetamidobenzoic acid |
| InChI Key | RGDPZMQZWZMONQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
4-Methoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 7690 |
|---|---|
| CAS | 104-01-8 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:55501 |
| MDL Number | MFCD00004345 |
| SMILES | COC1=CC=C(C=C1)CC(=O)O |
| Synonym | 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid |
| IUPAC Name | 2-(4-methoxyphenyl)acetic acid |
| InChI Key | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
5-Fluoro-2-hydroxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 3772476 |
|---|---|
| CAS | 259209-20-6 |
| MDL Number | MFCD03095357 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (5-fluoro-2-hydroxyphenyl)boronic acid |
| InChI Key | TWDQSJDFXUMAOI-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO3 |
| Formula Weight | 155.92 |
| Melting Point | 166°C |
L-Adrenaline 98.0+%, TCI America™
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CAS: 51-43-4 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00002204 InChI Key: UCTWMZQNUQWSLP-VIFPVBQESA-N Synonym: epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin PubChem CID: 5816 ChEBI: CHEBI:28918 IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol SMILES: CNCC(C1=CC(=C(C=C1)O)O)O
| PubChem CID | 5816 |
|---|---|
| CAS | 51-43-4 |
| Molecular Weight (g/mol) | 183.207 |
| ChEBI | CHEBI:28918 |
| MDL Number | MFCD00002204 |
| SMILES | CNCC(C1=CC(=C(C=C1)O)O)O |
| Synonym | epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin |
| IUPAC Name | 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol |
| InChI Key | UCTWMZQNUQWSLP-VIFPVBQESA-N |
| Molecular Formula | C9H13NO3 |
Fluazinam 98.0+%, TCI America™
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CAS: 79622-59-6 Molecular Formula: C13H4Cl2F6N4O4 Molecular Weight (g/mol): 465.09 MDL Number: MFCD00214168 InChI Key: UZCGKGPEKUCDTF-UHFFFAOYSA-N Synonym: fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine PubChem CID: 91731 ChEBI: CHEBI:81843 IUPAC Name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F
| PubChem CID | 91731 |
|---|---|
| CAS | 79622-59-6 |
| Molecular Weight (g/mol) | 465.09 |
| ChEBI | CHEBI:81843 |
| MDL Number | MFCD00214168 |
| SMILES | [O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1=NC=C(C=C1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F |
| Synonym | fluazinam,frowncide,shirlan flow,altima,sekoya,mapro,shirlan zeneca,fluazinam iso,unii-0p91pck33q,3-chloro-n-3-chloro-2,6-dinitro-4-trifluoromethyl phenyl-5-trifluoromethyl pyridin-2-amine |
| IUPAC Name | 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine |
| InChI Key | UZCGKGPEKUCDTF-UHFFFAOYSA-N |
| Molecular Formula | C13H4Cl2F6N4O4 |
5-Bromo-2,4-dimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 32246-20-1 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD05865172 InChI Key: WOPJFSQYDOHZMK-UHFFFAOYSA-N Synonym: 5-bromo-2 4-dimethoxybenzoic acid,acmc-20am5v,5-bromo-2,4-dimethoxybenzoicacid,2,4-dimethoxy-5-bromobenzoic acid,2,4-dimethoxy-5-bromo-benzoic acid,5-bromo-2,4-dimethoxy-benzoic acid,5-bromanyl-2,4-dimethoxy-benzoic acid,benzoic acid, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxybenzoic acid PubChem CID: 13505097 IUPAC Name: 5-bromo-2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1C(=O)O)Br)OC
| PubChem CID | 13505097 |
|---|---|
| CAS | 32246-20-1 |
| Molecular Weight (g/mol) | 261.071 |
| MDL Number | MFCD05865172 |
| SMILES | COC1=CC(=C(C=C1C(=O)O)Br)OC |
| Synonym | 5-bromo-2 4-dimethoxybenzoic acid,acmc-20am5v,5-bromo-2,4-dimethoxybenzoicacid,2,4-dimethoxy-5-bromobenzoic acid,2,4-dimethoxy-5-bromo-benzoic acid,5-bromo-2,4-dimethoxy-benzoic acid,5-bromanyl-2,4-dimethoxy-benzoic acid,benzoic acid, 5-bromo-2,4-dimethoxy,5-bromo-2,4-dimethoxybenzoic acid |
| IUPAC Name | 5-bromo-2,4-dimethoxybenzoic acid |
| InChI Key | WOPJFSQYDOHZMK-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO4 |
4-Hydroxyphenyldimethylsulfonium Methyl Sulfate 98.0+%, TCI America™
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CAS: 32279-04-2 Molecular Formula: C9H14O5S2 Molecular Weight (g/mol): 266.326 InChI Key: PKQZVASULXKBJV-UHFFFAOYSA-N Synonym: Dimethyl-4-hydroxyphenylsulfonium Methyl Sulfate PubChem CID: 21915988 IUPAC Name: (4-hydroxyphenyl)-dimethylsulfanium;methyl sulfate SMILES: COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)O
| PubChem CID | 21915988 |
|---|---|
| CAS | 32279-04-2 |
| Molecular Weight (g/mol) | 266.326 |
| SMILES | COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)O |
| Synonym | Dimethyl-4-hydroxyphenylsulfonium Methyl Sulfate |
| IUPAC Name | (4-hydroxyphenyl)-dimethylsulfanium;methyl sulfate |
| InChI Key | PKQZVASULXKBJV-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5S2 |
Ethyl 4-Cyanobenzoate 98.0+%, TCI America™
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CAS: 7153-22-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00001824 InChI Key: JLSSWDFCYXSLQX-UHFFFAOYSA-N Synonym: benzoic acid, 4-cyano-, ethyl ester,4-cyanobenzoic acid ethyl ester,benzoic acid, 4-cyano-,ethyl ester,4-cyano-benzoic acid ethyl ester,ethyl p-cyanobenzoate,ethyl-4-cyanobenzoate,p-cyano ethyl benzoate,acmc-209ypo,ethyl 4-cyanobenzoate,4-cyanobenzoic acid, ethyl ester PubChem CID: 81589 IUPAC Name: ethyl 4-cyanobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 81589 |
|---|---|
| CAS | 7153-22-2 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00001824 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C#N |
| Synonym | benzoic acid, 4-cyano-, ethyl ester,4-cyanobenzoic acid ethyl ester,benzoic acid, 4-cyano-,ethyl ester,4-cyano-benzoic acid ethyl ester,ethyl p-cyanobenzoate,ethyl-4-cyanobenzoate,p-cyano ethyl benzoate,acmc-209ypo,ethyl 4-cyanobenzoate,4-cyanobenzoic acid, ethyl ester |
| IUPAC Name | ethyl 4-cyanobenzoate |
| InChI Key | JLSSWDFCYXSLQX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
DL-Norphenylephrine Hydrochloride 98.0+%, TCI America™
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CAS: 4779-94-6 Molecular Formula: C8H12ClNO2 Molecular Weight (g/mol): 189.639 MDL Number: MFCD00012879 InChI Key: OWMFSWZUAWKDRR-UHFFFAOYSA-N Synonym: 3-(2-Amino-1-hydroxyethyl)phenol Hydrochloride PubChem CID: 3016408 IUPAC Name: 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride SMILES: C1=CC(=CC(=C1)O)C(CN)O.Cl
| PubChem CID | 3016408 |
|---|---|
| CAS | 4779-94-6 |
| Molecular Weight (g/mol) | 189.639 |
| MDL Number | MFCD00012879 |
| SMILES | C1=CC(=CC(=C1)O)C(CN)O.Cl |
| Synonym | 3-(2-Amino-1-hydroxyethyl)phenol Hydrochloride |
| IUPAC Name | 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride |
| InChI Key | OWMFSWZUAWKDRR-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO2 |
4-Nitrophthalic Acid 98.0+%, TCI America™
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CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |