1,2-Dimethyl-3-(3-Sulphonatopropyl)-5-(Trifluoromethyl)-1H-Benzimidazolium Sodium Chloride
[CAS# 68413-90-1]

Identification

• Name: 1,2-Dimethyl-3-(3-Sulphonatopropyl)-5-(Trifluoromethyl)-1H-Benzimidazolium Sodium Chloride
• Synonyms: Sodium 3-[2,3-Dimethyl-6-(Trifluoromethyl)-1-Benzimidazol-3-Iumyl]Propane-1-Sulfonate Chloride; 1H-Benzimidazolium, 1,2-Dimethyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Chloride, Sodium Salt
• Molecular Formula: C₁₃H₁₅ClF₃N₂NaO₃S
• Molecular Weight: 394.77
• CAS Registry Number: 68413-90-1
• EINECS: 270-262-0
• SMILES: C1=C(C(F)(F)F)C=CC2=C1[N+](=C([N]2C)C)CCC[S]([O-])(=O)=O.[Cl-].[Na+]
• InChI: 1S/C13H15F3N2O3S.ClH.Na/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;1H;/q;;+1/p-1
• InChIKey: HVLXYARDVORZRK-UHFFFAOYSA-M