3-[[4-[[4-[(3-sulfonatophenyl)amino]phenyl]-[4-(4-sulfonatophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulfonate

Systemtic Name: 3-[[4-[[4-[(3-sulfonatophenyl)amino]phenyl]-[4-(4-sulfonatophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulfonate Openeye Name: 3-[4-[[4-(3-sulfonatoanilino)phenyl]-[4-(4-sulfonatophenyl)iminiocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate CAS Name: 3-[4-[[4-(3-sulfonatoanilino)phenyl]-[4-(4-sulfonatophenyl)iminio-1-cyclohexa-2,5-dienylidene]methyl]anilino]benzenesulfonate IUPAC Name: 3-[4-[[4-(3-sulfonatoanilino)phenyl]-[4-(4-sulfonatophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate Traditional Name: 3-[4-[[4-(3-sulfonatoanilino)phenyl]-[4-(4-sulfonatophenyl)iminiocyclohexa-2,5-dien-1-ylidene]methyl]anilino]besylate Formula: C37H27N3O9S3-2 MolecularWeight: 753.81998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])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)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])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)S(=O)(=O)[O-]

InChI

InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p-2