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Substance Name: 6-Chloro-4-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,3-dimethyl-1H-benzimidazolium formate
RN: 96446-16-1
InChIKey: BMWBTWYIXUNKQS-XMXXDQCKSA-M

Molecular Formula

  • C20-H22-Cl-N6.C-H-O2

Molecular Weight

  • 426.9057
 
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Names and Synonyms

Synonym

  • EINECS 306-143-8

Systematic Name

  • 6-Chloro-4-((4-((2-cyanoethyl)ethylamino)phenyl)azo)-1,3-dimethyl-1H-benzimidazolium formate

Registry Numbers

CAS Registry Number

  • 96446-16-1

System Generated Number

  • 0096446161

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N6.C-H-O2

Molecular Formula Fragments

  • C-H-O2
  • C20-H22-Cl-N6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClN6.CH2O2/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;2-1-3/h6-9,12-14H,4-5,11H2,1-3H3;1H,(H,2,3)/q+1;/p-1/b24-23+;

InChIKey

BMWBTWYIXUNKQS-XMXXDQCKSA-M

Smiles

c1n(c2c([n+]1C)c(cc(c2)Cl)\N=N\c1ccc(cc1)N(CC)CCC#N)C.C(=O)[O-]