2-[[4-[(4-phenylazanylphenyl)-[4-(2-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulfonic acid

Systemtic Name: 2-[[4-[(4-phenylazanylphenyl)-[4-(2-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulfonic acid Openeye Name: 2-[4-[(4-anilinophenyl)-[4-(2-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid CAS Name: 2-[4-[(4-anilinophenyl)-[4-(2-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]anilino]benzenesulfonic acid IUPAC Name: 2-[4-[(4-anilinophenyl)-[4-(2-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid Traditional Name: 2-[4-[(4-anilinophenyl)-[4-(2-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]besylic acid Formula: C37H29N3O6S2 MolecularWeight: 675.77266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4S(=O)(=O)O)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4S(=O)(=O)O)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6S(=O)(=O)O

InChI

InChI=1S/C37H29N3O6S2/c41-47(42,43)35-12-6-4-10-33(35)39-31-22-16-27(17-23-31)37(26-14-20-30(21-15-26)38-29-8-2-1-3-9-29)28-18-24-32(25-19-28)40-34-11-5-7-13-36(34)48(44,45)46/h1-25,38-39H,(H,41,42,43)(H,44,45,46)