[4-[(4-dimethylaminophenyl)-[2-ethoxy-4-[(4-methyl-2-sulfo-phenyl)amino]-5-sulfo-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium

Systemtic Name: [4-[(4-dimethylaminophenyl)-[2-ethoxy-4-[(4-methyl-2-sulfo-phenyl)amino]-5-sulfo-phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium Openeye Name: [4-[(4-dimethylaminophenyl)-[2-ethoxy-4-(4-methyl-2-sulfo-anilino)-5-sulfo-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium CAS Name: [4-[(4-dimethylaminophenyl)-[2-ethoxy-4-(4-methyl-2-sulfoanilino)-5-sulfophenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium IUPAC Name: [4-[(4-dimethylaminophenyl)-[2-ethoxy-4-(4-methyl-2-sulfoanilino)-5-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium Traditional Name: [4-[(4-dimethylaminophenyl)-[2-ethoxy-4-(4-methyl-2-sulfo-anilino)-5-sulfo-phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium Formula: C32H36N3O7S2+ MolecularWeight: 638.77414

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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

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

InChI

InChI=1S/C32H35N3O7S2/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)/p+1