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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(3-((3-(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 (1:2)
RN: 6391-21-5
InChIKey: IXTYODUPZPZKHN-DVDDBBOFSA-L

Molecular Formula

  • C33-H25-N11-O7.2Na

Molecular Weight

  • 731.595
 
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Names and Synonyms

Synonym

  • EINECS 229-000-0

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxy-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-, disodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(3-aminophenyl)-4-(2-(3-((3-(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 (1:2)
  • Disodium 1-(3-aminophenyl)-4-((3-((3-((1-(3-aminophenyl)-3-carboxylato-4,5-dihydro-5-oxo-1H-pyrazol-4-yl)azo)benzoyl)amino)phenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 6391-21-5

System Generated Number

  • 0006391215

Molecular Formulas

Molecular Formula

  • C33-H25-N11-O7.2Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

IXTYODUPZPZKHN-DVDDBBOFSA-L

Smiles

N=1N(C([C@@H](C1C(=O)[O-])\N=N\c1cccc(c1)C(=O)Nc1cc(\N=N\[C@@H]2C(=O)N(N=C2C([O-])=O)c2cccc(c2)N)ccc1)=O)c1cc(N)ccc1.[Na+].[Na+]