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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(4-((4-(2-(1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:?)
RN: 72828-85-4
InChIKey: FXFIJTCQRBOZPB-DVDDBBOFSA-L

Molecular Formula

  • C33-H25-N11-O7.x-Na

Molecular Weight

  • 731.5947
 
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Names and Synonyms

Synonym

  • 1-(3-Aminophenyl)-4-((4-((4-((3-carboxy-1-(3-aminophenyl)-5-oxo-1H-pyrazol-4-yl)azo)phenyl)amino)carbonyl)phenyl)azo)-3-carboxy-5-oxo-1H-pyrazole, sodium salt

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((4-((4-((1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-, sodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(4-((4-(2-(1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 72828-85-4

System Generated Number

  • 0072828854

Molecular Formulas

Molecular Formula

  • C33-H25-N11-O7.x-Na

Molecular Formula Fragments

  • C33-H25-N11-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H25N11O7.2Na/c34-18-3-1-5-23(15-18)43-30(46)25(27(41-43)32(48)49)39-37-21-9-7-17(8-10-21)29(45)36-20-11-13-22(14-12-20)38-40-26-28(33(50)51)42-44(31(26)47)24-6-2-4-19(35)16-24;;/h1-16,25-26H,34-35H2,(H,36,45)(H,48,49)(H,50,51);;/q;2*+1/p-2/b39-37+,40-38+;;

InChIKey

FXFIJTCQRBOZPB-DVDDBBOFSA-L

Smiles

c1cc(cc(c1)N2C(=O)C(C(=N2)C(=O)[O-])/N=N/c3ccc(cc3)C(=O)Nc4ccc(cc4)/N=N/C5C(=NN(C5=O)c6cccc(c6)N)C(=O)[O-])N.[Na+].[Na+]