2-[3-nitro-4-[(4-phenylazanyl-3-sulfo-phenyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-nitro-4-[(4-phenylazanyl-3-sulfo-phenyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(4-anilino-3-sulfo-anilino)-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-(4-anilino-3-sulfoanilino)-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(4-anilino-3-sulfoanilino)-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-(4-anilino-3-sulfo-anilino)-3-nitro-benzoyl]benzoic acid Formula: C26H19N3O8S MolecularWeight: 533.50936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C26H19N3O8S/c30-25(19-8-4-5-9-20(19)26(31)32)16-10-12-21(23(14-16)29(33)34)28-18-11-13-22(24(15-18)38(35,36)37)27-17-6-2-1-3-7-17/h1-15,27-28H,(H,31,32)(H,35,36,37)