Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt

CAS Registry Number®

63149-03-1
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CAS Name

Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt

Molecular Formula

C12H15NO3S2

Cite this Page

Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63149-03-1 (retrieved 2024-09-11) (CAS RN: 63149-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3

InChIKey

InChIKey=IMJOWVNDQJOJND-UHFFFAOYSA-N

SMILES

C(CC(S(=O)(=O)[O-])C)[N+]=1C=2C(SC1C)=CC=CC2

Canonical SMILES

O=S(=O)([O-])C(C)CC[N+]=1C=2C=CC=CC2SC1C

Other Names for this Substance

  • Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt
  • Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, hydroxide, inner salt