2-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-[ethyl-[(3-sulfonatophenyl)methyl]amino]benzenesulfonate

Systemtic Name: 2-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-[ethyl-[(3-sulfonatophenyl)methyl]amino]benzenesulfonate Openeye Name: 2-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-5-[ethyl-[(3-sulfonatophenyl)methyl]amino]benzenesulfonate CAS Name: 2-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-5-[ethyl-[(3-sulfonatophenyl)methyl]amino]benzenesulfonate IUPAC Name: 2-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-[ethyl-[(3-sulfonatophenyl)methyl]amino]benzenesulfonate Traditional Name: 2-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-5-[ethyl-(3-sulfonatobenzyl)amino]besylate Formula: C32H34N3O6S2- MolecularWeight: 620.75886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C32H35N3O6S2/c1-6-35(22-23-8-7-9-29(20-23)42(36,37)38)28-18-19-30(31(21-28)43(39,40)41)32(24-10-14-26(15-11-24)33(2)3)25-12-16-27(17-13-25)34(4)5/h7-21H,6,22H2,1-5H3,(H-,36,37,38,39,40,41)/p-1