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Substance Name: Sodium 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonate
RN: 84583-93-7
InChIKey: YCVTXQPYXXTSCX-ZAGWXBKKSA-M

Molecular Formula

  • C16-H13-N5-O7-S.Na

Molecular Weight

  • 441.3548
 
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Names and Synonyms

Synonym

  • EINECS 283-246-3

Systematic Name

  • Sodium 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonate

Registry Numbers

CAS Registry Number

  • 84583-93-7

System Generated Number

  • 0084583937

Molecular Formulas

Molecular Formula

  • C16-H13-N5-O7-S.Na

Molecular Formula Fragments

  • C16-H13-N5-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25;/h2-8,14,22H,1H3,(H,26,27,28);/q;+1/p-1/b18-17+;

InChIKey

YCVTXQPYXXTSCX-ZAGWXBKKSA-M

Smiles

CC1=NN(C(=O)C1/N=N/c2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)[O-])c3ccccc3.[Na+]