N-Ethyl-N-(4-((4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)Phenylmethylene)-2,5-Cyclohexadien-1-Ylidene)-3-Sulfo-Benzenemethanaminium Inner Salt, Barium Salt
[CAS# 68399-73-5]

Identification

• Name: N-Ethyl-N-(4-((4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)Phenylmethylene)-2,5-Cyclohexadien-1-Ylidene)-3-Sulfo-Benzenemethanaminium Inner Salt, Barium Salt
• Synonyms: Barium(+2) Cation; 3-[[Ethyl-[4-[[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]-Phenyl-Methyl]Phenyl]Amino]Methyl]Benzenesulfonate; Barium(+2) Cation; 3-[[Ethyl-[4-[[4-[Ethyl-(3-Sulfonatobenzyl)Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]-Phenyl-Methyl]Phenyl]Amino]Methyl]Benzenesulfonate; Benzenemethanaminium, N-Ethyl-N-(4-((4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)Phenylmethylene)-2,5-Cyclohexadien-1-Ylidene)-3-Sulfo-, Inner Salt, Barium Salt
• Molecular Formula: C₇₄H₇₀BaN₄O₁₂S₄
• Molecular Weight: 1472.97
• CAS Registry Number: 68399-73-5
• EINECS: 269-984-9
• SMILES: [C+](C2=CC=C(N(CC1=CC=CC(=C1)[S]([O-])(=O)=O)CC)C=C2)(C4=CC=C(N(CC3=CC=CC(=C3)[S]([O-])(=O)=O)CC)C=C4)C5=CC=CC=C5.[C+](C7=CC=C(N(CC6=CC=CC(=C6)[S]([O-])(=O)=O)CC)C=C7)(C9=CC=C(N(CC8=CC=CC(=C8)[S]([O-])(=O)=O)CC)C=C9)C%10=CC=CC=C%10.[Ba++]
• InChI: 1S/2C37H36N2O6S2.Ba/c2*1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h2*5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;;+2/p-2
• InChIKey: YVMBKHFUNBKGMJ-UHFFFAOYSA-L