Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

CAS Registry Number®

63815-97-4

CAS Name

Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Molecular Formula

C13H17NO4S2

Cite this Page

Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63815-97-4 (retrieved 2025-01-10) (CAS RN: 63815-97-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17NO4S2/c1-9-7-11-13(8-12(9)18-3)19-10(2)14(11)5-4-6-20(15,16)17/h7-8H,4-6H2,1-3H3

InChIKey

InChIKey=KUKSDGDMBLTVEW-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(=CC(OC)=C(C)C2)SC1C

Canonical SMILES

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

Other Names for this Substance

  • Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
  • Benzothiazolium, 6-methoxy-2,5-dimethyl-3-(3-sulfopropyl)-, hydroxide, inner salt

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