Sodium 4-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(4-Sulfonatobutyl)-5-(Trifluoromethyl)Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Ium-1-Yl]Butane-1-Sulfonate
[CAS# 33628-07-8]

Identification

• Name: Sodium 4-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(4-Sulfonatobutyl)-5-(Trifluoromethyl)Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Ium-1-Yl]Butane-1-Sulfonate
• Synonyms: Sodium 4-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(4-Sulfonatobutyl)-5-(Trifluoromethyl)-2-Benzimidazolylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)-1-Benzimidazol-1-Iumyl]Butane-1-Sulfonate; 1H-Benzimidazolium, 5-Chloro-2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(4-Sulfobutyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-3-Ethyl-1-(4-Sulfobutyl)-6-(Trifluoromethyl)-, Hydroxide, Inner Salt, Sodium Salt; 1H-Benzimidazolium, 5-Chloro-2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(4-Sulfobutyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-3-Ethyl-1-(4-Sulfobutyl)-6-(Trifluoromethyl)-, Inner Salt, Sodium Salt
• Molecular Formula: C₃₁H₃₃Cl₂F₆N₄NaO₆S₂
• Molecular Weight: 829.63
• CAS Registry Number: 33628-07-8
• EINECS: 251-605-3
• SMILES: C1=C(C(=CC2=C1[N+](=C([N]2CC)C=C/C=C3/N(C4=C(N3CC)C=C(Cl)C(=C4)C(F)(F)F)CCCC[S]([O-])(=O)=O)CCCC[S]([O-])(=O)=O)Cl)C(F)(F)F.[Na+]
• InChI: 1S/C31H34Cl2F6N4O6S2.Na/c1-3-40-26-18-22(32)20(30(34,35)36)16-24(26)42(12-5-7-14-50(44,45)46)28(40)10-9-11-29-41(4-2)27-19-23(33)21(31(37,38)39)17-25(27)43(29)13-6-8-15-51(47,48)49;/h9-11,16-19H,3-8,12-15H2,1-2H3,(H-,44,45,46,47,48,49);/q;+1/p-1
• InChIKey: RYNJTCIHLVYZOG-UHFFFAOYSA-M