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

Systemtic Name: sodium 5-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-[(4-methyl-2-sulfonato-phenyl)amino]benzenesulfonate Openeye Name: sodium 5-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonato-anilino)benzenesulfonate CAS Name: sodium 5-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonatoanilino)benzenesulfonate IUPAC Name: sodium 5-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonatoanilino)benzenesulfonate Traditional Name: sodium 5-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonato-anilino)besylate Formula: C32H34N3NaO7S2 MolecularWeight: 659.74803

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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=C(C=C(C=C4)C)S(=O)(=O)[O-].[Na+]

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=C(C=C(C=C4)C)S(=O)(=O)[O-].[Na+]

InChI

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