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Substance Name: 1-(4-(Acetylamino)-3-chlorophenyl)-3-methyl-1H-1,2,4-triazolium methyl sulphate
RN: 71501-35-4
InChIKey: USTUWOZDXWOJFC-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-Cl-N4-O.C-H3-O4-S

Molecular Weight

  • 362.7925
 
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Names and Synonyms

Synonym

  • EINECS 275-563-0

Systematic Name

  • 1-(4-(Acetylamino)-3-chlorophenyl)-3-methyl-1H-1,2,4-triazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 71501-35-4

System Generated Number

  • 0071501354

Molecular Formulas

Molecular Formula

  • C11-H12-Cl-N4-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C11-H12-Cl-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C11H11ClN4O.CH4O4S/c1-7-13-6-16(15-7)9-3-4-11(10(12)5-9)14-8(2)17;1-5-6(2,3)4/h3-6H,1-2H3,(H,14,17);1H3,(H,2,3,4)

InChIKey

USTUWOZDXWOJFC-UHFFFAOYSA-N

Smiles

Cc1[nH]c[n+](n1)c2ccc(c(c2)Cl)NC(=O)C.COS(=O)(=O)[O-]