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Substance Name: Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, 4-methylbenzenesulfonate (1:1)
RN: 63450-61-3
InChIKey: WPNCCKOMZYGFAZ-UHFFFAOYSA-M

Molecular Formula

  • C19-H24-N-S.C7-H7-O3-S

Molecular Weight

  • 469.667
 
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Names and Synonyms

  • Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-ethyl-2-((3,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 63450-61-3

System Generated Number

  • 0063450613

Molecular Formulas

Molecular Formula

  • C19-H24-N-S.C7-H7-O3-S

Molecular Formula Fragments

  • C19-H24-N-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24NS.C7H8O3S/c1-5-20-16-8-6-7-9-17(16)21-18(20)11-15-10-14(2)12-19(3,4)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-11H,5,12-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

WPNCCKOMZYGFAZ-UHFFFAOYSA-M

Smiles

c1([n+](c2c(cccc2)s1)CC)\C=C1/C=C(C)CC(C)(C)C1.c1cc(ccc1C)S(=O)(=O)[O-]