1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt

CAS Registry Number®

63815-85-0

CAS Name

1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt

Molecular Formula

C13H15F3N2O3S

Cite this Page

1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63815-85-0 (retrieved 2024-11-08) (CAS RN: 63815-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=TTXYBYYCMISBGU-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(N(C)C1C)=CC=C(C(F)(F)F)C2

Canonical SMILES

O=S(=O)([O-])CCC[N+]=1C=2C=C(C=CC2N(C1C)C)C(F)(F)F

Other Names for this Substance

  • 1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt
  • 1H-Benzimidazolium, 1,2-dimethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt

Deleted or Replaced CAS Registry Numbers

63870-53-1

CAS INSIGHTSTM
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