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Substance Name: Bis(3-(3-amino-3-oxopropyl)-2-((1-ethyl-2-phenyl-1H-indol-3-yl)azo)benzothiazolium) tetrachlorozincate
RN: 85480-88-2
InChIKey: KWJCQWVUNKBHQK-UHFFFAOYSA-L

Molecular Formula

  • C26-H24-N5-O-S.1/2Cl4-Zn

Molecular Weight

  • 1116.3532
 
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Names and Synonyms

Synonym

  • EINECS 287-369-3

Systematic Names

  • Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-((1-ethyl-2-phenyl-1H-indol-3-yl)azo)-, (beta-4)-tetrachlorozincate(2-) (2:1)
  • Bis(3-(3-amino-3-oxopropyl)-2-((1-ethyl-2-phenyl-1H-indol-3-yl)azo)benzothiazolium) tetrachlorozincate

Registry Numbers

CAS Registry Number

  • 85480-88-2

System Generated Number

  • 0085480882

Molecular Formulas

Molecular Formula

  • C26-H24-N5-O-S.1/2Cl4-Zn

Molecular Formula Fragments

  • C26-H24-N5-O-S
  • Cl4-Zn
  • COMPONENT

Structure Descriptors

InChI

1S/2C26H23N5OS.4ClH.Zn/c2*1-2-30-20-13-7-6-12-19(20)24(25(30)18-10-4-3-5-11-18)28-29-26-31(17-16-23(27)32)21-14-8-9-15-22(21)33-26;;;;;/h2*3-15H,2,16-17H2,1H3,(H-,27,32);4*1H;/q;;;;;;+2/p-2

InChIKey

KWJCQWVUNKBHQK-UHFFFAOYSA-L

Smiles

s1c([n+](c2c1cccc2)CCC(=O)N)/N=N/c1c(n(c2c1cccc2)CC)c1ccccc1.[Zn-2](Cl)(Cl)(Cl)Cl.s1c([n+](c2c1cccc2)CCC(=O)N)/N=N/c1c(n(c2c1cccc2)CC)c1ccccc1