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Substance Name: Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner salt
RN: 53061-07-7
InChIKey: PMWSHQYEXQSZEJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-Cl-N-O3-S2

Molecular Weight

  • 319.832
 
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Names and Synonyms

Synonyms

  • Anhydro-5-chloro-2-methyl-3-(4-sulfobutyl)benzothiazolium hydroxide
  • Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, hydroxide, inner salt
  • EINECS 258-335-5

Systematic Names

  • 5-Chloro-2-methyl-3-(4-sulphonatobutyl)benzothiazolium
  • Benzothiazolium, 5-chloro-2-methyl-3-(4-sulfobutyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 53061-07-7

Other Registry Number

  • 177969-28-7

System Generated Number

  • 0053061077

Structure Descriptors

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

PMWSHQYEXQSZEJ-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])CCCC[n+]1c2c(sc1C)ccc(Cl)c2