3-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)amino]benzoic acid

Systemtic Name: 3-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)amino]benzoic acid Openeye Name: 3-[(8-hydroxy-6-sulfo-2-naphthyl)amino]benzoic acid CAS Name: 3-[(8-hydroxy-6-sulfo-2-naphthalenyl)amino]benzoic acid IUPAC Name: 3-[(8-hydroxy-6-sulfonaphthalen-2-yl)amino]benzoic acid Traditional Name: 3-[(8-hydroxy-6-sulfo-2-naphthyl)amino]benzoic acid Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C17H13NO6S/c19-16-9-14(25(22,23)24)7-10-4-5-13(8-15(10)16)18-12-3-1-2-11(6-12)17(20)21/h1-9,18-19H,(H,20,21)(H,22,23,24)