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Substance Name: 4H-1,2,4-Triazolium, 1-(7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-, methyl sulfate (1:1)
RN: 29641-53-0
InChIKey: FJFKCKQUPJGLTM-UHFFFAOYSA-N

Molecular Formula

  • C17-H17-N6-O2.C-H3-O4-S

Molecular Weight

  • 450.474
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzopyran-2-one, 3-(4-methyl-1,2,4-triazol-1-yl)-7-(4-methyl-5-ethyl-1,2,3-triazol-2-yl)-, methyl sulfate
  • EINECS 249-749-7

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 29641-53-0

System Generated Number

  • 0029641530

Molecular Formulas

Molecular Formula

  • C17-H17-N6-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C17-H17-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18N6O2.CH4O4S/c1-4-14-11(2)19-23(20-14)13-6-5-12-7-15(17(24)25-16(12)8-13)22-10-21(3)9-18-22;1-5-6(2,3)4/h5-9H,4,10H2,1-3H3;1H3,(H,2,3,4)

InChIKey

FJFKCKQUPJGLTM-UHFFFAOYSA-N

Smiles

[N+]1(c2c(oc3c(c2)ccc(c3)n2nc(c(n2)CC)C)=O)N=CN(C1)C.S(=O)(=O)(OC)[O-]