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Substance Name: Benzyl(2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-m-tolyl)amino)ethyl)dimethylammonium hydrogen sulphate
RN: 85187-93-5
InChIKey: HRGATKWLSMBUOJ-FJISBNMDSA-M

Molecular Formula

  • C28-H33-N6-S.H-O4-S

Molecular Weight

  • 582.7466
 
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Names and Synonyms

Synonym

  • EINECS 286-182-4

Systematic Name

  • Benzyl(2-(ethyl(4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-m-tolyl)amino)ethyl)dimethylammonium hydrogen sulphate

Registry Numbers

CAS Registry Number

  • 85187-93-5

System Generated Number

  • 0085187935

Molecular Formulas

Molecular Formula

  • C28-H33-N6-S.H-O4-S

Molecular Formula Fragments

  • C28-H33-N6-S
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C28H33N6S.H2O4S/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5(2,3)4/h6-17,20H,5,18-19,21H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/b31-30+;

InChIKey

HRGATKWLSMBUOJ-FJISBNMDSA-M

Smiles

CCN(CC[N+](C)(C)Cc1ccccc1)c2ccc(c(c2)C)/N=N/c3nc(ns3)c4ccccc4.OS(=O)(=O)[O-]