Hydrogen [4-[4-(Diethylamino)-3',4'-Bis(Sulphonatomethyl)Benzhydrylidene]Cyclohexa-2,5-Dien-1-Ylidene]Diethylammonium, Monosodium Salt
[CAS# 68516-63-2]

Identification

• Name: Hydrogen [4-[4-(Diethylamino)-3',4'-Bis(Sulphonatomethyl)Benzhydrylidene]Cyclohexa-2,5-Dien-1-Ylidene]Diethylammonium, Monosodium Salt
• Synonyms: Ethanaminium, N-(4-((3,4-Bis(Sulfomethyl)Phenyl)(4-(Diethylamino)Phenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-N-Ethyl-, Inner Salt, Sodium Salt; Hydrogen (4-(4-(Diethylamino)-3',4'-Bis(Sulphonatomethyl)Benzhydrylidene)Cyclohexa-2,5-Dien-1-Ylidene)Diethylammonium, Monosodium Salt
• Molecular Formula: C₂₉H₃₅N₂NaO₆S₂
• Molecular Weight: 594.72
• CAS Registry Number: 68516-63-2
• EINECS: 271-168-2
• SMILES: [C+](C1=CC=C(C(=C1)C[S]([O-])(=O)=O)C[S]([O-])(=O)=O)(C2=CC=C(N(CC)CC)C=C2)C3=CC=C(N(CC)CC)C=C3.[Na+]
• InChI: 1S/C29H36N2O6S2.Na/c1-5-30(6-2)27-15-11-22(12-16-27)29(23-13-17-28(18-14-23)31(7-3)8-4)24-9-10-25(20-38(32,33)34)26(19-24)21-39(35,36)37;/h9-19H,5-8,20-21H2,1-4H3,(H-,32,33,34,35,36,37);/q;+1/p-1
• InChIKey: BDIHWSFSKPEOIW-UHFFFAOYSA-M