2-[3-phenylazanyl-6-(4-sulfophenyl)imino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-phenylazanyl-6-(4-sulfophenyl)imino-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-anilino-6-(4-sulfophenyl)imino-xanthen-9-yl]benzoic acid CAS Name: 2-[3-anilino-6-(4-sulfophenyl)imino-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-anilino-6-(4-sulfophenyl)iminoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-anilino-6-(4-sulfophenyl)imino-xanthen-9-yl]benzoic acid Formula: C32H22N2O6S MolecularWeight: 562.59188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)S(=O)(=O)O)C=C4O3)C6=CC=CC=C6C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=C4C=CC(=NC5=CC=C(C=C5)S(=O)(=O)O)C=C4O3)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C32H22N2O6S/c35-32(36)26-9-5-4-8-25(26)31-27-16-12-22(33-20-6-2-1-3-7-20)18-29(27)40-30-19-23(13-17-28(30)31)34-21-10-14-24(15-11-21)41(37,38)39/h1-19,33H,(H,35,36)(H,37,38,39)