Sodium 3-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfonatopropyl)-5-(Trifluoromethyl)Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Ium-1-Yl]Propane-1-Sulfonate
[CAS# 33628-05-6]

Identification

• Name: Sodium 3-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfonatopropyl)-5-(Trifluoromethyl)Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Ium-1-Yl]Propane-1-Sulfonate
• Synonyms: Sodium 3-[5-Chloro-2-[(E,3E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfonatopropyl)-5-(Trifluoromethyl)-2-Benzimidazolylidene]Prop-1-Enyl]-3-Ethyl-6-(Trifluoromethyl)-1-Benzimidazol-1-Iumyl]Propane-1-Sulfonate; 1H-Benzimidazolium, 5-Chloro-2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulfopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-3-Ethyl-1-(3-Sulfopropyl)-6-(Trifluoromethyl)-, Inner Salt, Sodium Salt; 1H-Benzimidazolium, 6-Chloro-2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulfopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-1-Ethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Hydroxide, Inner Salt, Sodium Salt
• Molecular Formula: C₂₉H₂₉Cl₂F₆N₄NaO₆S₂
• Molecular Weight: 801.58
• CAS Registry Number: 33628-05-6
• EINECS: 251-604-8
• SMILES: C1=C(C(F)(F)F)C(=CC4=C1N(\C(=C\C=CC2=[N+](C3=C([N]2CC)C=C(Cl)C(=C3)C(F)(F)F)CCC[S](=O)(=O)[O-])N4CC)CCC[S](=O)(=O)[O-])Cl.[Na+]
• InChI: 1S/C29H30Cl2F6N4O6S2.Na/c1-3-38-24-16-20(30)18(28(32,33)34)14-22(24)40(10-6-12-48(42,43)44)26(38)8-5-9-27-39(4-2)25-17-21(31)19(29(35,36)37)15-23(25)41(27)11-7-13-49(45,46)47;/h5,8-9,14-17H,3-4,6-7,10-13H2,1-2H3,(H-,42,43,44,45,46,47);/q;+1/p-1
• InChIKey: XJTFGUSFOPRUQV-UHFFFAOYSA-M