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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)CN=C2C=CC(=CC3=CC=C(C=C3)S(=O)(=O)O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)CN=C2C=CC(=CC3=CC=C(C=C3)S(=O)(=O)O)C=C2

InChI

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