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Substance Name: Ethanesulfonic acid, 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-, sodium salt (1:1)
RN: 27441-70-9
InChIKey: CUKVLWAEAKAWHX-UHFFFAOYSA-M

Molecular Formula

  • C17-H17-Cl-N2-O5-S2.Na

Molecular Weight

  • 450.897
 
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Names and Synonyms

Synonym

  • EINECS 248-460-3

Systematic Names

  • Ethanesulfonic acid, 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-, sodium salt
  • Ethanesulfonic acid, 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulfonyl)-, sodium salt (1:1)
  • Sodium 2-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethanesulphonate

Registry Numbers

CAS Registry Number

  • 27441-70-9

System Generated Number

  • 0027441709

Molecular Formulas

Molecular Formula

  • C17-H17-Cl-N2-O5-S2.Na

Molecular Formula Fragments

  • C17-H17-Cl-N2-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1

InChIKey

CUKVLWAEAKAWHX-UHFFFAOYSA-M

Smiles

N1(c2ccc(S(=O)(=O)CCS(=O)(=O)[O-])cc2)N=C(c2ccc(Cl)cc2)CC1.[Na+]