Sodium 3-{[{(1Z,4Z)-4-[(2,5-dichlorophenyl){4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene]-2,5-cyclohexadien-1-ylidene}(ethyl)ammonio]methyl}benzenesulfonate
[CAS# 6362-40-9]

Identification

• Name: Sodium 3-{[{(1Z,4Z)-4-[(2,5-dichlorophenyl){4-[ethyl(3-sulfonatobenzyl)amino]phenyl}methylene]-2,5-cyclohexadien-1-ylidene}(ethyl)ammonio]methyl}benzenesulfonate
• Synonyms: Sodium 3-[[[4-[(2,5-Dichlorophenyl)-[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]-Ethyl-Amino]Methyl]Benzenesulfonate; Sodium 3-[[[4-[(2,5-Dichlorophenyl)-[4-[Ethyl-(3-Sulfonatobenzyl)Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]-Ethyl-Amino]Methyl]Benzenesulfonate; Benzenemethanaminium, N-(4-((2,5-Dichlorophenyl)(4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-N-Ethyl-3-Sulfo-, Inner Salt, Sodium Salt
• Molecular Formula: C₃₇H₃₃Cl₂N₂NaO₆S₂
• Molecular Weight: 759.69
• CAS Registry Number: 6362-40-9
• SMILES: [C+](C1=CC(=CC=C1Cl)Cl)(C3=CC=C(N(CC2=CC=CC(=C2)[S]([O-])(=O)=O)CC)C=C3)C5=CC=C(N(CC4=CC=CC(=C4)[S]([O-])(=O)=O)CC)C=C5.[Na+]
• InChI: 1S/C37H34Cl2N2O6S2.Na/c1-3-40(24-26-7-5-9-33(21-26)48(42,43)44)31-16-11-28(12-17-31)37(35-23-30(38)15-20-36(35)39)29-13-18-32(19-14-29)41(4-2)25-27-8-6-10-34(22-27)49(45,46)47;/h5-23H,3-4,24-25H2,1-2H3,(H-,42,43,44,45,46,47);/q;+1/p-1
• InChIKey: KLHJWSADNRQPOD-UHFFFAOYSA-M