N-Ethyl-N-[4-[[4-[Ethyl[(3-Sulfophenyl)Methyl]Amino]Phenyl](2-Sulfophenyl)Methylene]-2,5-Cyclohexadien-1-Ylidene]-3-Sulfo-Benzenemethanaminium Inner Salt potassium sodium salt
[CAS# 25305-78-6]

Identification

• Name: N-Ethyl-N-[4-[[4-[Ethyl[(3-Sulfophenyl)Methyl]Amino]Phenyl](2-Sulfophenyl)Methylene]-2,5-Cyclohexadien-1-Ylidene]-3-Sulfo-Benzenemethanaminium Inner Salt potassium sodium salt
• Synonyms: Potassium Sodium 2-[[4-[Ethyl-(3-Sulfonatobenzyl)Amino]Phenyl]-[4-[Ethyl-(3-Sulfonatobenzyl)Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Benzenesulfonate; Benzenemethanaminium, N-Ethyl-N-(4-((4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)(2-Sulfophenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-3-Sulfo-, Inner Salt, Potassium Sodium Salt; Dihydrogen (Ethyl)(4-(Alpha-(4-(Ethyl(3-Sulphonatobenzyl)Amino)Phenyl)-2-Sulphonatobenzylidene)Cyclohexa-2,5-Dien-1-Ylidene)(3-Sulphonatobenzyl)Ammonium, Potassium Sodium Salt
• Molecular Formula: C₃₇H₃₄KN₂NaO₉S₃
• Molecular Weight: 808.95
• CAS Registry Number: 25305-78-6
• SMILES: [C+](C1=CC=CC=C1[S]([O-])(=O)=O)(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+].[K+]
• InChI: 1S/C37H36N2O9S3.K.Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
• InChIKey: UVHCGJRQTNCABI-UHFFFAOYSA-L