4-[4-[bis(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate

Systemtic Name: 4-[4-[bis(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate Openeye Name: 4-[4-[bis(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]ammoniobenzenesulfonate CAS Name: 4-[[4-[bis(4-anilinophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]ammonio]benzenesulfonate IUPAC Name: 4-[4-[bis(4-anilinophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate Traditional Name: 4-[4-[bis(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]ammoniobesylate Formula: C37H29N3O3S MolecularWeight: 595.70946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=[NH+]C4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=[NH+]C4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6

InChI

InChI=1S/C37H29N3O3S/c41-44(42,43)36-25-23-35(24-26-36)40-34-21-15-29(16-22-34)37(27-11-17-32(18-12-27)38-30-7-3-1-4-8-30)28-13-19-33(20-14-28)39-31-9-5-2-6-10-31/h1-26,38-39H,(H,41,42,43)