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

Systemtic Name: 4-[[4-[bis[4-[(3-methylphenyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methyl-benzenesulfonic acid Openeye Name: 4-[[4-[bis[4-(3-methylanilino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methyl-benzenesulfonic acid CAS Name: 4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]amino]-2-methylbenzenesulfonic acid IUPAC Name: 4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid Traditional Name: 4-[[4-[bis[4-(m-toluidino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methyl-besylic acid Formula: C40H35N3O3S MolecularWeight: 637.7892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)S(=O)(=O)O)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)S(=O)(=O)O)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C

InChI

InChI=1S/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41-42H,1-3H3,(H,44,45,46)