3-[(2E)-5-Chloro-2-[(E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)Benzimidazol-3-Ium-2-Yl]Prop-2-Enylidene]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Yl]Propane-1-Sulfonate
[CAS# 30377-70-9]

Identification

• Name: 3-[(2E)-5-Chloro-2-[(E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)Benzimidazol-3-Ium-2-Yl]Prop-2-Enylidene]-3-Ethyl-6-(Trifluoromethyl)Benzimidazol-1-Yl]Propane-1-Sulfonate
• Synonyms: 3-[(2E)-5-Chloro-2-[(E)-3-[6-Chloro-1-Ethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-2-Benzimidazol-3-Iumyl]Prop-2-Enylidene]-3-Ethyl-6-(Trifluoromethyl)-1-Benzimidazolyl]Propane-1-Sulfonate; Hydrogen 5-Chloro-2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulphonatopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)Propen-1-Yl)-3-Ethyl-1-(Sulphonatopropyl)-6-(Trifluoromethyl)-1H-Benzimidazolium
• Molecular Formula: C₂₉H₃₀Cl₂F₆N₄O₆S₂
• Molecular Weight: 779.60
• CAS Registry Number: 30377-70-9
• EINECS: 250-163-9
• SMILES: C2=C1[N](C(=[N+](C1=CC(=C2C(F)(F)F)Cl)CC)C=CC=C4N(C3=CC(=C(Cl)C=C3N4CC)C(F)(F)F)CCC[S](=O)(=O)O)CCC[S]([O-])(=O)=O
• InChI: 1S/C29H30Cl2F6N4O6S2/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)
• InChIKey: TWSPMPJAHLXLEJ-UHFFFAOYSA-N