1,2-Dimethyl-3-Sulfopropyl-5-Trifluoromethylbenzimidazolium, Inner Salt
[CAS# 63815-85-0]

Identification

• Name: 1,2-Dimethyl-3-Sulfopropyl-5-Trifluoromethylbenzimidazolium, Inner Salt
• Synonyms: 3-[2,3-Dimethyl-6-(Trifluoromethyl)-1-Benzimidazol-3-Iumyl]Propane-1-Sulfonate; 1H-Benzimidazolium, 1,2-Dimethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Hydroxide, Inner Salt; 1H-Benzimidazolium, 1,2-Dimethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Inner Salt
• Molecular Formula: C₁₃H₁₅F₃N₂O₃S
• Molecular Weight: 336.33
• CAS Registry Number: 63815-85-0
• SMILES: C1=C(C(F)(F)F)C=CC2=C1[N+](=C(C)[N]2C)CCC[S](=O)(=O)[O-]
• InChI: 1S/C13H15F3N2O3S/c1-9-17(2)11-5-4-10(13(14,15)16)8-12(11)18(9)6-3-7-22(19,20)21/h4-5,8H,3,6-7H2,1-2H3
• InChIKey: TTXYBYYCMISBGU-UHFFFAOYSA-N