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Substance Name: Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, ethyl sulfate (1:1)
RN: 67800-91-3
InChIKey: ORGLOPDBXCEQCS-UHFFFAOYSA-M

Molecular Formula

  • C22-H23-N2-S2.C2-H5-O4-S

Molecular Weight

  • 504.693
 
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Names and Synonyms

Synonyms

  • 3,3'-Diethyl-9-methyl-2,2'-thiacarbocyanine ethosulfate
  • EINECS 267-115-8

Systematic Names

  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, ethyl sulfate (1:1)
  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, ethyl sulfate
  • Ethyl 3-ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium sulphate

Registry Numbers

CAS Registry Number

  • 67800-91-3

System Generated Number

  • 0067800913

Molecular Formulas

Molecular Formula

  • C22-H23-N2-S2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C22-H23-N2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23N2S2.C2H6O4S/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;1-2-6-7(3,4)5/h6-15H,4-5H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

ORGLOPDBXCEQCS-UHFFFAOYSA-M

Smiles

C1(\N(c2c(S1)cccc2)CC)=C\C(=C\c1[n+](c2c(s1)cccc2)CC)C.S(OCC)(=O)(=O)[O-]