Dihydrogen 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}(4-sulfonatophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate
[CAS# 93917-96-5]

Identification

• Name: Dihydrogen 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}(4-sulfonatophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate
• Synonyms: dihydrogen (ethyl)[4-[α-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium
• Molecular Formula: C₃₉H₄₀N₂O₉S₃
• Molecular Weight: 776.94
• CAS Registry Number: 93917-96-5
• EINECS: 299-877-2
• SMILES: [H+].[H+].C\C4=C\C(\C=C/C4=C(c1ccc(cc1)S([O-])(=O)=O)c2ccc(cc2C)N(Cc3cccc(c3)S([O-])(=O)=O)CC)=[N+](CC)Cc5cccc(c5)S([O-])(=O)=O
• InChI: 1S/C39H40N2O9S3/c1-5-40(25-29-9-7-11-35(23-29)52(45,46)47)32-15-19-37(27(3)21-32)39(31-13-17-34(18-14-31)51(42,43)44)38-20-16-33(22-28(38)4)41(6-2)26-30-10-8-12-36(24-30)53(48,49)50/h7-24H,5-6,25-26H2,1-4H3,(H2-,42,43,44,45,46,47,48,49,50)
• InChIKey: HNUMDFDFKDUHMA-UHFFFAOYSA-N