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Substance Name: Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-6-nitro-2(3H)-benzothiazolylidene)-1-propenyl)-6-nitro-, chloride
RN: 23312-11-0
InChIKey: WGQSXDTWWANNBK-UHFFFAOYSA-M

Molecular Formula

  • C21-H19-N4-O4-S2.Cl

Molecular Weight

  • 490.99
 
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Names and Synonyms

Synonym

  • 3-Ethyl-2-(3-(3-ethyl-6-nitro-2(3H)-benzothiazolylidene)-1-propenyl)-6-nitrobenzothiazolium chloride

Systematic Name

  • Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-6-nitro-2(3H)-benzothiazolylidene)-1-propenyl)-6-nitro-, chloride

Registry Numbers

CAS Registry Number

  • 23312-11-0

System Generated Number

  • 0023312110

Molecular Formulas

Molecular Formula

  • C21-H19-N4-O4-S2.Cl

Molecular Formula Fragments

  • C21-H19-N4-O4-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19N4O4S2.ClH/c1-3-22-16-10-8-14(24(26)27)12-18(16)30-20(22)6-5-7-21-23(4-2)17-11-9-15(25(28)29)13-19(17)31-21;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

WGQSXDTWWANNBK-UHFFFAOYSA-M

Smiles

s1c([n+](c2c1cc(cc2)[N+](=O)[O-])CC)\C=C\C=C1\Sc2c(N1CC)ccc(c2)[N+](=O)[O-].[ClH-]