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Substance Name: Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)
RN: 15086-20-1
InChIKey: PVRZIWDHDSZPFF-UHFFFAOYSA-M

Molecular Formula

  • C22-H23-N2-S2.C7-H7-O3-S

Molecular Weight

  • 550.765
 
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Names and Synonyms

Synonym

  • EINECS 239-136-2

Systematic Names

  • 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium p-toluenesulphonate
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 15086-20-1

System Generated Number

  • 0015086201

Molecular Formulas

Molecular Formula

  • C22-H23-N2-S2.C7-H7-O3-S

Molecular Formula Fragments

  • C22-H23-N2-S2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23N2S2.C7H8O3S/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

PVRZIWDHDSZPFF-UHFFFAOYSA-M

Smiles

c1(ccc(cc1)C)S(=O)(=O)[O-].s1c([n+](c2c1cccc2)CC)\C=C(\C=C1\Sc2c(N1CC)cccc2)C