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Substance Name: Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate
RN: 94138-71-3
InChIKey: SCHJOQNFJJUICL-UHFFFAOYSA-M

Molecular Formula

  • C17-H17-Cl-N2-O6-S2.Na

Molecular Weight

  • 466.8964
 
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Names and Synonyms

Synonym

  • EINECS 302-987-6

Systematic Name

  • Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate

Registry Numbers

CAS Registry Number

  • 94138-71-3

System Generated Number

  • 0094138713

Molecular Formulas

Molecular Formula

  • C17-H17-Cl-N2-O6-S2.Na

Molecular Formula Fragments

  • C17-H17-Cl-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H17ClN2O6S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)27(21,22)12-11-26-28(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1

InChIKey

SCHJOQNFJJUICL-UHFFFAOYSA-M

Smiles

[Na+].S(=O)(=O)(OCCS(=O)(=O)c1ccc(cc1)N1N=C(CC1)c1ccc(cc1)Cl)[O-]