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Substance Name: Sodium 2-((4-(3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl sulphate
RN: 94138-72-4
InChIKey: FPGVRZFXCXXFJB-UHFFFAOYSA-M

Molecular Formula

  • C18-H18-Cl2-N2-O6-S2.Na

Molecular Weight

  • 515.3683
 
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Names and Synonyms

Synonym

  • EINECS 302-988-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94138-72-4

System Generated Number

  • 0094138724

Molecular Formulas

Molecular Formula

  • C18-H18-Cl2-N2-O6-S2.Na

Molecular Formula Fragments

  • C18-H18-Cl2-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H18Cl2N2O6S2.Na/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)29(23,24)9-8-28-30(25,26)27;/h2-5,10-11H,6-9H2,1H3,(H,25,26,27);/q;+1/p-1

InChIKey

FPGVRZFXCXXFJB-UHFFFAOYSA-M

Smiles

[Na+].S(=O)(=O)(OCCS(=O)(=O)c1ccc(cc1)N1N=C(CC1)c1c(cc(c(c1)Cl)Cl)C)[O-]