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Substance Name: Benzothiazolium, 3-(2-carboxyethyl)-6-methoxy-2,5-dimethyl-, iodide (1:1)
RN: 63870-56-4
InChIKey: XNEVPYBQWIFWDS-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-N-O3-S.I

Molecular Weight

  • 267.3473
 
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Names and Synonyms

Synonym

  • Benzothiazolium, 3-(2-carboxyethyl)-6-methoxy-2,5-dimethyl-, iodide

Systematic Names

  • Benzothiazolium, 3-(2-carboxyethyl)-6-methoxy-2,5-dimethyl-, iodide
  • Benzothiazolium, 3-(2-carboxyethyl)-6-methoxy-2,5-dimethyl-, iodide (1:1)

Registry Numbers

CAS Registry Number

  • 63870-56-4

System Generated Number

  • 0063870564

Molecular Formulas

Molecular Formula

  • C13-H16-N-O3-S.I

Molecular Formula Fragments

  • C13-H16-N-O3-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H16NO3S/c1-8-6-10-12(7-11(8)17-3)18-9(2)14(10)5-4-13(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)

InChIKey

XNEVPYBQWIFWDS-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1OC)SC(=N2CCC(=O)O)C