Hydrogen 3-({[4-({4-[(4-Ethoxyphenyl)Amino]Phenyl}{4-[Ethyl(3-Sulfonatobenzyl)Amino]Phenyl}Methylene)-2,5-Cyclohexadien-1-Ylidene](Ethyl)Ammonio}Methyl)Benzenesulfonate
[CAS# 25305-85-5]

Identification

• Name: Hydrogen 3-({[4-({4-[(4-Ethoxyphenyl)Amino]Phenyl}{4-[Ethyl(3-Sulfonatobenzyl)Amino]Phenyl}Methylene)-2,5-Cyclohexadien-1-Ylidene](Ethyl)Ammonio}Methyl)Benzenesulfonate
• Synonyms: hydrogen [4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium
• Molecular Formula: C₄₅H₄₅N₃O₇S₂
• Molecular Weight: 803.98
• CAS Registry Number: 25305-85-5
• EINECS: 246-800-5
• SMILES: [H+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c2ccc(cc2)/C(c4ccc(Nc3ccc(OCC)cc3)cc4)=C5\C=C/C(/C=C5)=[N+](Cc6cccc(c6)S([O-])(=O)=O)CC
• InChI: 1S/C45H45N3O7S2/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54)
• InChIKey: PLVPREXUKUFADG-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)