Hydrogen [4-[[4-(Dimethylamino)Phenyl][4-[Ethyl(Sulphonatobenzyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)(Sulphonatobenzyl)Ammonium
[CAS# 94248-54-1]

Identification

• Name: Hydrogen [4-[[4-(Dimethylamino)Phenyl][4-[Ethyl(Sulphonatobenzyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene](Ethyl)(Sulphonatobenzyl)Ammonium
• Synonyms: hydrogen [4-[[4-(dimethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium
• Molecular Formula: C₃₉H₄₁N₃O₆S₂
• Molecular Weight: 711.89
• CAS Registry Number: 94248-54-1
• EINECS: 304-327-2
• SMILES: [H+].[O-]S(=O)(=O)c5ccccc5CN(CC)c1ccc(cc1)/C(c2ccc(cc2)N(C)C)=C3\C=C/C(/C=C3)=[N+](Cc4ccccc4S([O-])(=O)=O)CC
• InChI: 1S/C39H41N3O6S2/c1-5-41(27-32-11-7-9-13-37(32)49(43,44)45)35-23-17-30(18-24-35)39(29-15-21-34(22-16-29)40(3)4)31-19-25-36(26-20-31)42(6-2)28-33-12-8-10-14-38(33)50(46,47)48/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48)
• InChIKey: WMZVCHUUJIMMPH-UHFFFAOYSA-N