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Substance Name: Sodium 2-(((3-(4,5-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)sulphonyl)amino)benzoate
RN: 6054-90-6
InChIKey: NDGAERPDXCMDBQ-QREUMGABSA-M

Molecular Formula

  • C23-H18-N6-O8-S.Na

Molecular Weight

  • 560.4773
 
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Names and Synonyms

Synonym

  • EINECS 227-974-1

Systematic Name

  • Sodium 2-(((3-(4,5-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)sulphonyl)amino)benzoate

Registry Numbers

CAS Registry Number

  • 6054-90-6

System Generated Number

  • 0006054906

Molecular Formulas

Molecular Formula

  • C23-H18-N6-O8-S.Na

Molecular Formula Fragments

  • C23-H18-N6-O8-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H18N6O8S.Na/c1-13-21(25-24-19-10-9-15(29(34)35)12-20(19)30)22(31)28(26-13)14-5-4-6-16(11-14)38(36,37)27-18-8-3-2-7-17(18)23(32)33;/h2-12,21,27,30H,1H3,(H,32,33);/q;+1/p-1/b25-24+;

InChIKey

NDGAERPDXCMDBQ-QREUMGABSA-M

Smiles

CC1=NN(C(=O)C1/N=N/c2ccc(cc2O)[N+](=O)[O-])c3cccc(c3)S(=O)(=O)Nc4ccccc4C(=O)[O-].[Na+]