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Substance Name: Methyl 4-methyl-1-(7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-1H-1,2,4-triazolium sulphate
RN: 85204-53-1
InChIKey: IKIUHAPYIPEIAN-UHFFFAOYSA-M

Molecular Formula

  • C21-H17-N6-O2.C-H3-O4-S

Molecular Weight

  • 498.5178
 
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Names and Synonyms

Synonym

  • EINECS 286-341-8

Systematic Names

  • 1H-1,2,4-Triazolium, 4-methyl-1-(7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-, methyl sulfate
  • Methyl 4-methyl-1-(7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-1H-1,2,4-triazolium sulphate

Registry Numbers

CAS Registry Number

  • 85204-53-1

System Generated Number

  • 0085204531

Molecular Formulas

Molecular Formula

  • C21-H17-N6-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C21-H17-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21N6O2.H2O4S/c1-15-21(16-7-5-4-6-8-16)24-28(23-15)18-10-9-17-11-19(22(29)30-20(17)12-18)27-14-25(2)13-26(27)3;1-5(2,3)4/h4-12,14H,13H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1

InChIKey

IKIUHAPYIPEIAN-UHFFFAOYSA-M

Smiles

Cc1c(nn(n1)c2ccc3cc(c(=O)oc3c2)[N+]4=CN(CN4C)C)c5ccccc5.OS(=O)(=O)[O-]