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Substance Name: Benzenesulfonic acid, 3-(2-(1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitro-, sodium salt (1:1)
RN: 6359-96-2
InChIKey: HDNIIDKHCASDLF-LTRPLHCISA-M

Molecular Formula

  • C16-H12-Cl-N5-O7-S.Na

Molecular Weight

  • 475.8
 
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Names and Synonyms

Synonym

  • EINECS 228-816-4

Systematic Names

  • Benzenesulfonic acid, 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitro-, monosodium salt
  • Benzenesulfonic acid, 3-(2-(1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitro-, sodium salt (1:1)
  • Sodium 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonate

Registry Numbers

CAS Registry Number

  • 6359-96-2

System Generated Number

  • 0006359962

Molecular Formulas

Molecular Formula

  • C16-H12-Cl-N5-O7-S.Na

Molecular Formula Fragments

  • C16-H12-Cl-N5-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(22(25)26)7-13(15(12)23)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1/b19-18+;

InChIKey

HDNIIDKHCASDLF-LTRPLHCISA-M

Smiles

[Na+].c1(c(c(cc(c1)[N+](=O)[O-])\N=N\[C@@H]1C(=NN(C1=O)c1cc(ccc1)Cl)C)O)S(=O)(=O)[O-]