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Substance Name: Benzothiazolium, 3-ethyl-2-(2-(1-methyl-2-(3-pyridyl)indol-3-yl)vinyl)-6-nitro-, p-toluenesulfonate, mono-p-toluenesulfonate
RN: 25052-61-3
InChIKey: HFOFVTJEWCBWPZ-UHFFFAOYSA-M

Molecular Formula

  • C25-H21-N4-O2-S.C7-H8-O3-S.C7-H7-O3-S

Molecular Weight

  • 784.9314
 
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Names and Synonyms

Synonym

  • 3-Ethyl-2-(2-(1-methyl-2-(3-pyridyl)indol-3-yl)vinyl)-6-nitrobenzothiazolium p-toluenesulfonate, mono-p-toluenesulfonate

Systematic Name

  • Benzothiazolium, 3-ethyl-2-(2-(1-methyl-2-(3-pyridyl)indol-3-yl)vinyl)-6-nitro-, p-toluenesulfonate, mono-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 25052-61-3

System Generated Number

  • 0025052613

Molecular Formulas

Molecular Formula

  • C25-H21-N4-O2-S.C7-H8-O3-S.C7-H7-O3-S

Molecular Formula Fragments

  • C25-H21-N4-O2-S
  • C7-H7-O3-S
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H21N4O2S.2C7H8O3S/c1-3-28-22-12-10-18(29(30)31)15-23(22)32-24(28)13-11-20-19-8-4-5-9-21(19)27(2)25(20)17-7-6-14-26-16-17;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-16H,3H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1

InChIKey

HFOFVTJEWCBWPZ-UHFFFAOYSA-M

Smiles

CC[n+]1c(\C=C\c2c(c3cccnc3)n(C)c4ccccc24)sc5cc(ccc15)[N+](=O)[O-].Cc6ccc(cc6)S(=O)(=O)O.Cc7ccc(cc7)S(=O)(=O)[O-]