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Substance Name: 1H-Pyrazole-4-methanesulfonic acid, 3-(4,5-dichloro-2-methylphenyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-, sodium salt (1:1)
RN: 58953-08-5
InChIKey: WTELQDTYDULSAP-UHFFFAOYSA-M

Molecular Formula

  • C19-H16-Cl2-N2-O5-S.Na

Molecular Weight

  • 477.298
 
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Names and Synonyms

Synonyms

  • 1H-Pyrazole-4-methanesulfonic acid, 3-(4,5-dichloro-2-methylphenyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-, sodium salt
  • EINECS 261-519-8

Systematic Names

  • 1H-Pyrazole-4-methanesulfonic acid, 3-(4,5-dichloro-2-methylphenyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-, sodium salt
  • 1H-Pyrazole-4-methanesulfonic acid, 3-(4,5-dichloro-2-methylphenyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-, sodium salt (1:1)
  • Sodium 3-(4,5-dichloro-o-tolyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-1H-pyrazole-4-methanesulphonate

Registry Numbers

CAS Registry Number

  • 58953-08-5

System Generated Number

  • 0058953085

Molecular Formulas

Molecular Formula

  • C19-H16-Cl2-N2-O5-S.Na

Molecular Formula Fragments

  • C19-H16-Cl2-N2-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H16Cl2N2O5S.Na/c1-10-4-16(20)17(21)6-15(10)18-12(9-29(25,26)27)7-23(22-18)13-2-3-14-11(5-13)8-28-19(14)24;/h2-6,12H,7-9H2,1H3,(H,25,26,27);/q;+1/p-1

InChIKey

WTELQDTYDULSAP-UHFFFAOYSA-M

Smiles

[Na+].N1(N=C([C@@H](C1)CS(=O)(=O)[O-])c1c(cc(c(c1)Cl)Cl)C)c1cc2COC(c2cc1)=O