5-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-[(4-methyl-3-sulfonato-phenyl)amino]benzenesulfonate

Systemtic Name: 5-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-[(4-methyl-3-sulfonato-phenyl)amino]benzenesulfonate Openeye Name: 5-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-3-sulfonato-anilino)benzenesulfonate CAS Name: 5-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-4-ethoxy-2-(4-methyl-3-sulfonatoanilino)benzenesulfonate IUPAC Name: 5-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-3-sulfonatoanilino)benzenesulfonate Traditional Name: 5-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-3-sulfonato-anilino)besylate Formula: C32H34N3O7S2- MolecularWeight: 636.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)S(=O)(=O)[O-])NC4=CC(=C(C=C4)C)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)S(=O)(=O)[O-])NC4=CC(=C(C=C4)C)S(=O)(=O)[O-]

InChI

InChI=1S/C32H35N3O7S2/c1-7-42-29-20-28(33-24-13-8-21(2)30(18-24)43(36,37)38)31(44(39,40)41)19-27(29)32(22-9-14-25(15-10-22)34(3)4)23-11-16-26(17-12-23)35(5)6/h8-20H,7H2,1-6H3,(H2,36,37,38,39,40,41)/p-1