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Substance Name: Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate (1:1)
RN: 68298-84-0
InChIKey: GPXLBYSGODQZNZ-CULRIWENSA-M

Molecular Formula

  • C17-H18-N-O2-S.C-H3-O4-S

Molecular Weight

  • 411.497
 
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Names and Synonyms

Synonym

  • 2-(2-Furoylmethylene)-3-ethyl-3,5-dimethylbenzothiazolinium, methyl sulfate

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate
  • Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 68298-84-0

System Generated Number

  • 0068298840

Molecular Formulas

Molecular Formula

  • C17-H18-N-O2-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C17-H18-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18NO2S.CH4O4S/c1-4-18(3)13-10-12(2)7-8-16(13)21-17(18)11-14(19)15-6-5-9-20-15;1-5-6(2,3)4/h5-11H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b17-11-;

InChIKey

GPXLBYSGODQZNZ-CULRIWENSA-M

Smiles

C1(\[N@@+](c2c(S1)ccc(c2)C)(CC)C)=C\C(c1occc1)=O.S(OC)(=O)(=O)[O-]