Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner salt
CAS Registry Number®
53061-07-7
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CAS Name
Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner saltMolecular Formula
C12H14ClNO3S2Cite this Page
Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=53061-07-7 (retrieved ) (CAS RN: 53061-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H14ClNO3S2/c1-9-14(6-2-3-7-19(15,16)17)11-8-10(13)4-5-12(11)18-9/h4-5,8H,2-3,6-7H2,1H3
InChIKey
InChIKey=PMWSHQYEXQSZEJ-UHFFFAOYSA-N
SMILES
C(CCCS(=O)(=O)[O-])[N+]=1C=2C(SC1C)=CC=C(Cl)C2
Canonical SMILES
O=S(=O)([O-])CCCC[N+]=1C=2C=C(Cl)C=CC2SC1C
Other Names for this Substance
- Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner salt
- Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, hydroxide, inner salt
- 5-Chloro-2-methyl-3-(4-sulfobutyl)benzothiazolium betaine
Deleted or Replaced CAS Registry Numbers
177969-28-7