Sodium 3-[[[3-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]phenyl]-(3-sulfonatobenzyl)amino]methyl]benzenesulfonate
[CAS# 6505-31-3]

Identification

• Name: Sodium 3-[[[3-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]phenyl]-(3-sulfonatobenzyl)amino]methyl]benzenesulfonate
• Synonyms: Sodium 3-[[[3-[(4-Dimethylaminophenyl)-(4-Dimethylazaniumylidene-1-Cyclohexa-2,5-Dienylidene)Methyl]Phenyl]-(3-Sulfonatobenzyl)Amino]Methyl]Benzenesulfonate; Methanaminium, N-(4-((3-(Bis((3-Sulfophenyl)Methyl)Amino)Phenyl)(4-(Dimethylamino)Phenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-N-Methyl-, Inner Salt, Sodium Salt
• Molecular Formula: C₃₇H₃₆N₃NaO₆S₂
• Molecular Weight: 705.82
• CAS Registry Number: 6505-31-3
• SMILES: [C+](C1=CC=CC(=C1)N(CC2=CC=CC(=C2)[S](=O)([O-])=O)CC3=CC(=CC=C3)[S](=O)(=O)[O-])(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C.[Na+]
• InChI: 1S/C37H37N3O6S2.Na/c1-38(2)32-18-14-29(15-19-32)37(30-16-20-33(21-17-30)39(3)4)31-10-7-11-34(24-31)40(25-27-8-5-12-35(22-27)47(41,42)43)26-28-9-6-13-36(23-28)48(44,45)46;/h5-24H,25-26H2,1-4H3,(H-,41,42,43,44,45,46);/q;+1/p-1
• InChIKey: MUZZWLMOXNGWRP-UHFFFAOYSA-M