Benzenoids
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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™
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CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
| PubChem CID | 2769536 |
|---|---|
| CAS | 128376-64-7 |
| Molecular Weight (g/mol) | 232.09 |
| MDL Number | MFCD04972375 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | DMBMXJJGPXADPO-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO3 |
1-Aminoanthracene 98.0+%, TCI America™
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CAS: 610-49-1 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00003579 InChI Key: YUENFNPLGJCNRB-UHFFFAOYSA-N Synonym: 1-aminoanthracene,1-anthramine,1-anthracenamine,1-anthrylamine,1-anthracylamine,anthracenamine,alpha-aminoanthracene,anthracen-1-ylamine,anthracene, amino,aminoanthracene PubChem CID: 11885 ChEBI: CHEBI:40678 IUPAC Name: anthracen-1-amine SMILES: NC1=C2C=C3C=CC=CC3=CC2=CC=C1
| PubChem CID | 11885 |
|---|---|
| CAS | 610-49-1 |
| Molecular Weight (g/mol) | 193.25 |
| ChEBI | CHEBI:40678 |
| MDL Number | MFCD00003579 |
| SMILES | NC1=C2C=C3C=CC=CC3=CC2=CC=C1 |
| Synonym | 1-aminoanthracene,1-anthramine,1-anthracenamine,1-anthrylamine,1-anthracylamine,anthracenamine,alpha-aminoanthracene,anthracen-1-ylamine,anthracene, amino,aminoanthracene |
| IUPAC Name | anthracen-1-amine |
| InChI Key | YUENFNPLGJCNRB-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Methyl 2-(Aminosulfonyl)benzoate 98.0+%, TCI America™
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CAS: 57683-71-3 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00009808 InChI Key: VSOOBQALJVLTBH-UHFFFAOYSA-N Synonym: methyl 2-aminosulfonyl benzoate,2-carbomethoxybenzenesulfonamide,2-sulfamoylbenzoic acid methyl ester,2-methoxycarbonyl benzene sulfonamide,methyl o-sulphamoylbenzoate,benzoic acid, 2-aminosulfonyl-, methyl ester,benzoic acid, 2-sulfamoyl-, methyl ester,2-methoxycarbonylphenylsulfonamide,2-methoxycarbonylbenzenesulfonamide,2-methoxycarbonyl benzenesulphonamide PubChem CID: 42546 ChEBI: CHEBI:83512 IUPAC Name: methyl 2-sulfamoylbenzoate SMILES: COC(=O)C1=CC=CC=C1S(N)(=O)=O
| PubChem CID | 42546 |
|---|---|
| CAS | 57683-71-3 |
| Molecular Weight (g/mol) | 215.22 |
| ChEBI | CHEBI:83512 |
| MDL Number | MFCD00009808 |
| SMILES | COC(=O)C1=CC=CC=C1S(N)(=O)=O |
| Synonym | methyl 2-aminosulfonyl benzoate,2-carbomethoxybenzenesulfonamide,2-sulfamoylbenzoic acid methyl ester,2-methoxycarbonyl benzene sulfonamide,methyl o-sulphamoylbenzoate,benzoic acid, 2-aminosulfonyl-, methyl ester,benzoic acid, 2-sulfamoyl-, methyl ester,2-methoxycarbonylphenylsulfonamide,2-methoxycarbonylbenzenesulfonamide,2-methoxycarbonyl benzenesulphonamide |
| IUPAC Name | methyl 2-sulfamoylbenzoate |
| InChI Key | VSOOBQALJVLTBH-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4S |
3-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
| PubChem CID | 220329 |
|---|---|
| CAS | 825-99-0 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00156993 |
| SMILES | CSC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 |
| IUPAC Name | 3-methylsulfanylbenzoic acid |
| InChI Key | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4-Amino-3-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 2374-03-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00017094 InChI Key: NFPYJDZQOKCYIE-UHFFFAOYSA-N Synonym: 3-hydroxy-4-aminobenzoic acid,4-amino-3-hydroxy benzoic acid,benzoic acid, 4-amino-3-hydroxy,chembl1462,2hdr,pubchem14418,2-amino-5-carboxyphenol,intermediates-zcf02635,acmc-209g5k,4-carboxy-2-hydroxyaniline PubChem CID: 137566 IUPAC Name: 4-amino-3-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)N
| PubChem CID | 137566 |
|---|---|
| CAS | 2374-03-0 |
| Molecular Weight (g/mol) | 153.137 |
| MDL Number | MFCD00017094 |
| SMILES | C1=CC(=C(C=C1C(=O)O)O)N |
| Synonym | 3-hydroxy-4-aminobenzoic acid,4-amino-3-hydroxy benzoic acid,benzoic acid, 4-amino-3-hydroxy,chembl1462,2hdr,pubchem14418,2-amino-5-carboxyphenol,intermediates-zcf02635,acmc-209g5k,4-carboxy-2-hydroxyaniline |
| IUPAC Name | 4-amino-3-hydroxybenzoic acid |
| InChI Key | NFPYJDZQOKCYIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Amino-4-methylbenzonitrile 98.0+%, TCI America™
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CAS: 26830-96-6 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00173706 InChI Key: LGNVAEIITHYWCG-UHFFFAOYSA-N Synonym: 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile PubChem CID: 2801276 IUPAC Name: 2-amino-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(N)=C1
| PubChem CID | 2801276 |
|---|---|
| CAS | 26830-96-6 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00173706 |
| SMILES | CC1=CC=C(C#N)C(N)=C1 |
| Synonym | 2-cyano-5-methylaniline,3-amino-4-cyanotoluene,2-amino-4-methyl-benzonitrile,4-methyl-2-aminobenzonitrile,benzonitrile, 2-amino-4-methyl,2-amino-4-methylbenzenecarbonitrile,2-amino-4-methylbenzonitril,6-cyano-m-toluidine,pubchem4661,4-methylanthranilonitrile |
| IUPAC Name | 2-amino-4-methylbenzonitrile |
| InChI Key | LGNVAEIITHYWCG-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
4-Bromomethylbiphenyl 98.0+%, TCI America™
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CAS: 2567-29-5 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD00017869 InChI Key: HZQLUIZFUXNFHK-UHFFFAOYSA-N Synonym: 4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl PubChem CID: 257716 IUPAC Name: 1-(bromomethyl)-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
| PubChem CID | 257716 |
|---|---|
| CAS | 2567-29-5 |
| Molecular Weight (g/mol) | 247.135 |
| MDL Number | MFCD00017869 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CBr |
| Synonym | 4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl |
| IUPAC Name | 1-(bromomethyl)-4-phenylbenzene |
| InChI Key | HZQLUIZFUXNFHK-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
2-Methylresorcinol 98.0+%, TCI America™
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CAS: 608-25-3 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002271 InChI Key: ZTMADXFOCUXMJE-UHFFFAOYSA-N Synonym: 2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol PubChem CID: 11843 IUPAC Name: 2-methylbenzene-1,3-diol SMILES: CC1=C(C=CC=C1O)O
| PubChem CID | 11843 |
|---|---|
| CAS | 608-25-3 |
| Molecular Weight (g/mol) | 124.139 |
| MDL Number | MFCD00002271 |
| SMILES | CC1=C(C=CC=C1O)O |
| Synonym | 2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol |
| IUPAC Name | 2-methylbenzene-1,3-diol |
| InChI Key | ZTMADXFOCUXMJE-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
4'-(Benzyloxy)benzylidene-4-fluoroaniline 98.0+%, TCI America™
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CAS: 70627-52-0 Molecular Formula: C20H16FNO Molecular Weight (g/mol): 305.35 MDL Number: MFCD00017951 InChI Key: IWNBEFDVKWCBFY-UHFFFAOYSA-N PubChem CID: 791783 IUPAC Name: 1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine SMILES: FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 791783 |
|---|---|
| CAS | 70627-52-0 |
| Molecular Weight (g/mol) | 305.35 |
| MDL Number | MFCD00017951 |
| SMILES | FC1=CC=C(C=C1)N=CC1=CC=C(OCC2=CC=CC=C2)C=C1 |
| IUPAC Name | 1-[4-(benzyloxy)phenyl]-N-(4-fluorophenyl)methanimine |
| InChI Key | IWNBEFDVKWCBFY-UHFFFAOYSA-N |
| Molecular Formula | C20H16FNO |
2-(Trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 776-04-5 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.612 InChI Key: ZIZGWNOAHUCACM-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride PubChem CID: 136616 IUPAC Name: 2-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl
| PubChem CID | 136616 |
|---|---|
| CAS | 776-04-5 |
| Molecular Weight (g/mol) | 244.612 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl |
| Synonym | 2-trifluoromethyl benzenesulfonyl chloride,2-trifluoromethyl benzene-1-sulfonyl chloride,2-trifluoromethylbenzenesulphonyl chloride,2-trifluoromethyl benzenesulphonyl chloride,o-trifluoromethyl benzenesulfonyl chloride,o-trifluoromethylbenzenesulfonyl chloride,2-trifluoromethyl benzene sulfonyl chloride,benzenesulfonyl chloride, 2-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-2-sulfonyl chloride |
| IUPAC Name | 2-(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | ZIZGWNOAHUCACM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O2S |
(4R)-(+)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone 98.0+%, TCI America™
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CAS: 191090-32-1 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD03093555 InChI Key: PHTOJBANGYSTOH-MRXNPFEDSA-N PubChem CID: 11300512 IUPAC Name: (4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 11300512 |
|---|---|
| CAS | 191090-32-1 |
| Molecular Weight (g/mol) | 281.355 |
| MDL Number | MFCD03093555 |
| SMILES | CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| IUPAC Name | (4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI Key | PHTOJBANGYSTOH-MRXNPFEDSA-N |
| Molecular Formula | C18H19NO2 |
2-Aminoanthracene 98.0+%, TCI America™
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CAS: 613-13-8 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00003582 InChI Key: YCSBALJAGZKWFF-UHFFFAOYSA-N Synonym: 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 PubChem CID: 11937 ChEBI: CHEBI:34260 IUPAC Name: anthracen-2-amine SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
| PubChem CID | 11937 |
|---|---|
| CAS | 613-13-8 |
| Molecular Weight (g/mol) | 193.249 |
| ChEBI | CHEBI:34260 |
| MDL Number | MFCD00003582 |
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N |
| Synonym | 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 |
| IUPAC Name | anthracen-2-amine |
| InChI Key | YCSBALJAGZKWFF-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
(3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine 98.0+%, TCI America™
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CAS: 131878-23-4 Molecular Formula: C16H24N2O2 Molecular Weight (g/mol): 276.38 MDL Number: MFCD01321148 InChI Key: PHOIDJGLYWEUEK-CQSZACIVSA-N PubChem CID: 10286119 IUPAC Name: tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate SMILES: CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2
| PubChem CID | 10286119 |
|---|---|
| CAS | 131878-23-4 |
| Molecular Weight (g/mol) | 276.38 |
| MDL Number | MFCD01321148 |
| SMILES | CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
| IUPAC Name | tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate |
| InChI Key | PHOIDJGLYWEUEK-CQSZACIVSA-N |
| Molecular Formula | C16H24N2O2 |
1,1-Bis(4-aminophenyl)cyclohexane 98.0+%, TCI America™
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CAS: 3282-99-3 Molecular Formula: C18H22N2 Molecular Weight (g/mol): 266.39 MDL Number: MFCD00035700 InChI Key: DJCVCYUEICJZBD-UHFFFAOYSA-N PubChem CID: 768325 IUPAC Name: 4-[4-(4-aminophenyl)cyclohexyl]aniline SMILES: NC1=CC=C(C=C1)C1CCC(CC1)C1=CC=C(N)C=C1
| PubChem CID | 768325 |
|---|---|
| CAS | 3282-99-3 |
| Molecular Weight (g/mol) | 266.39 |
| MDL Number | MFCD00035700 |
| SMILES | NC1=CC=C(C=C1)C1CCC(CC1)C1=CC=C(N)C=C1 |
| IUPAC Name | 4-[4-(4-aminophenyl)cyclohexyl]aniline |
| InChI Key | DJCVCYUEICJZBD-UHFFFAOYSA-N |
| Molecular Formula | C18H22N2 |
6-Hydroxy-2-naphthoic Acid 98.0+%, TCI America™
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CAS: 16712-64-4 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00060070 InChI Key: KAUQJMHLAFIZDU-UHFFFAOYSA-N Synonym: 6-hydroxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-hydroxy,6-hydroxy-2-naphthalenecarboxylic acid,6-carboxy-2-naphthol,2-hydroxynaphthalene-6-carboxylic acid,6-hydroxy-beta-naphthoic acid,unii-72xa858i6p,6-hydroxy-naphthalene-2-carboxylic acid,2-naphthoic acid, 6-hydroxy,2-hydroxy-6-naphthoic acid PubChem CID: 85557 IUPAC Name: 6-hydroxynaphthalene-2-carboxylic acid SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O
| PubChem CID | 85557 |
|---|---|
| CAS | 16712-64-4 |
| Molecular Weight (g/mol) | 188.182 |
| MDL Number | MFCD00060070 |
| SMILES | C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O |
| Synonym | 6-hydroxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-hydroxy,6-hydroxy-2-naphthalenecarboxylic acid,6-carboxy-2-naphthol,2-hydroxynaphthalene-6-carboxylic acid,6-hydroxy-beta-naphthoic acid,unii-72xa858i6p,6-hydroxy-naphthalene-2-carboxylic acid,2-naphthoic acid, 6-hydroxy,2-hydroxy-6-naphthoic acid |
| IUPAC Name | 6-hydroxynaphthalene-2-carboxylic acid |
| InChI Key | KAUQJMHLAFIZDU-UHFFFAOYSA-N |
| Molecular Formula | C11H8O3 |