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Substance Name: 4H-1,2,4-Triazolium, 5-(2-(4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)diazenyl)-1,4-dimethyl-, sulfate (2:1)
RN: 72749-67-8
InChIKey: OOIGJSZTNBJJRE-UHFFFAOYSA-L

Molecular Formula

  • C21-H25-N6-O2.1/2O4-S

Molecular Weight

  • 882.999
 
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Names and Synonyms

Synonym

  • Bis(3-((4-(N-ethyl-N-(2-(phenylcarbonyloxy)ethyl)amino)phenyl)azo)-2,4-dimethyl-1,2,4-triazolium), sulfate

Systematic Names

  • 1H-1,2,4-Triazolium, 5-((4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)azo)-1,4-dimethyl-, sulfate (2:1)
  • 4H-1,2,4-Triazolium, 5-(2-(4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)diazenyl)-1,4-dimethyl-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 72749-67-8

System Generated Number

  • 0072749678

Molecular Formulas

Molecular Formula

  • C21-H25-N6-O2.1/2O4-S

Molecular Formula Fragments

  • C21-H25-N6-O2
  • COMPONENT
  • O4-S

Structure Descriptors

InChI

1S/2C21H25N6O2.H2O4S/c2*1-4-27(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)23-24-21-25(2)16-22-26(21)3;1-5(2,3)4/h2*5-13,16H,4,14-15H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

OOIGJSZTNBJJRE-UHFFFAOYSA-L

Smiles

CCN(c1ccc(cc1)/N=N/c2[n+](ncn2C)C)CCOC(=O)c3ccccc3.CCN(c1ccc(cc1)/N=N/c2[n+](ncn2C)C)CCOC(=O)c3ccccc3.[O-]S(=O)(=O)[O-]