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Substance Name: Sodium 3-((1-(4-(4-amino-3-methylbenzamido)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxybenzenesulphonate
RN: 85895-97-2
InChIKey: UXJFTTHZBKGMGU-IRWWKPKRSA-M

Molecular Formula

  • C24-H21-Cl-N6-O6-S.Na

Molecular Weight

  • 578.967
 
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Names and Synonyms

Synonym

  • EINECS 288-773-2

Systematic Name

  • Sodium 3-((1-(4-(4-amino-3-methylbenzamido)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-5-chloro-4-hydroxybenzenesulphonate

Registry Numbers

CAS Registry Number

  • 85895-97-2

System Generated Number

  • 0085895972

Molecular Formulas

Molecular Formula

  • C24-H21-Cl-N6-O6-S.Na

Molecular Formula Fragments

  • C24-H21-Cl-N6-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H21ClN6O6S.Na/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32;/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37);/q;+1/p-1/b29-28+;

InChIKey

UXJFTTHZBKGMGU-IRWWKPKRSA-M

Smiles

Cc1cc(ccc1N)C(=O)Nc2ccc(cc2)N3C(=O)C(C(=N3)C)/N=N/c4cc(cc(c4O)Cl)S(=O)(=O)[O-].[Na+]