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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-, sulfate (2:1)
RN: 72749-71-4
InChIKey: FHAMOQMQXBSUAS-UHFFFAOYSA-L

Molecular Formula

  • C17-H17-N6-O2.1/2O4-S

Molecular Weight

  • 770.7846
 
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Names and Synonyms

  • 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-, sulfate (2:1)
  • 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-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 72749-71-4

System Generated Number

  • 0072749714

Molecular Formulas

Molecular Formula

  • C17-H17-N6-O2.1/2O4-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C17H17N6O2.H2O4S/c2*1-4-14-11(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(2,3)4/h2*5-10H,4H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

InChIKey

FHAMOQMQXBSUAS-UHFFFAOYSA-L

Smiles

CCc1c(nn(n1)c2ccc3cc(c(=O)oc3c2)[n+]4cn(cn4)C)C.CCc1c(nn(n1)c2ccc3cc(c(=O)oc3c2)[n+]4cn(cn4)C)C.[O-]S(=O)(=O)[O-]