4-azanylbenzoic acid; 7-oxidanylnaphthalene-1-sulfonic acid

Systemtic Name: 4-azanylbenzoic acid; 7-oxidanylnaphthalene-1-sulfonic acid Openeye Name: 4-aminobenzoic acid; 7-hydroxynaphthalene-1-sulfonic acid CAS Name: 4-aminobenzoic acid; 7-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 4-aminobenzoic acid; 7-hydroxynaphthalene-1-sulfonic acid Traditional Name: 4-aminobenzoic acid; croceic acid Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)O)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C(C=C2)O)C(=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=O)O)N

InChI

InChI=1S/C10H8O4S.C7H7NO2/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;8-6-3-1-5(2-4-6)7(9)10/h1-6,11H,(H,12,13,14);1-4H,8H2,(H,9,10)