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Substance Name: Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
RN: 54350-28-6
InChIKey: ZEXVRZLZAIQKRI-UHFFFAOYSA-N

Molecular Formula

  • C21-H19-Cl2-N2-S2.C7-H7-O3-S

Molecular Weight

  • 606.636
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-3-ethylbenzothiazolium salt with 4-methylbenzenesulfonic acid (1:1)

Systematic Name

  • Benzothiazolium, 5-chloro-2-(3-(5-chloro-3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl)-3-ethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 54350-28-6

System Generated Number

  • 0054350286

Molecular Formulas

Molecular Formula

  • C21-H19-Cl2-N2-S2.C7-H7-O3-S

Molecular Formula Fragments

  • C21-H19-Cl2-N2-S2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19Cl2N2S2.C7H8O3S/c1-3-24-16-12-14(22)8-10-18(16)26-20(24)6-5-7-21-25(4-2)17-13-15(23)9-11-19(17)27-21;1-6-2-4-7(5-3-6)11(8,9)10/h5-13H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

ZEXVRZLZAIQKRI-UHFFFAOYSA-N

Smiles

s1c(\C=C\C=C2\Sc3c(N2CC)cc(cc3)Cl)[n+](CC)c2cc(Cl)ccc12.c1(ccc(cc1)C)S(=O)(=O)O