2-[[4-[(3-sulfophenyl)methylimino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[(3-sulfophenyl)methylimino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid Openeye Name: 2-[[4-[(3-sulfophenyl)methylimino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid CAS Name: 2-[[4-[(3-sulfophenyl)methylimino]-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[[4-[(3-sulfophenyl)methylimino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid Traditional Name: 2-[[4-(3-sulfobenzyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]besylic acid Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C=CC(=NCC3=CC(=CC=C3)S(=O)(=O)O)C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C=C2C=CC(=NCC3=CC(=CC=C3)S(=O)(=O)O)C=C2)S(=O)(=O)O

InChI

InChI=1S/C20H17NO6S2/c22-28(23,24)19-6-3-4-16(13-19)14-21-18-10-8-15(9-11-18)12-17-5-1-2-7-20(17)29(25,26)27/h1-13H,14H2,(H,22,23,24)(H,25,26,27)