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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(3-((4-(2-(3-carboxy-4,5-dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoyl)amino)phenyl)diazenyl)-4,5-dihydro-1-(3-nitrophenyl)-5-oxo-, sodium salt (1:2)
RN: 71550-27-1
InChIKey: HBCSRCKZLYDXJG-HKXUKFGYSA-L

Molecular Formula

  • C33-H21-N11-O11.2Na

Molecular Weight

  • 791.5591
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 71550-27-1

System Generated Number

  • 0071550271

Molecular Formulas

Molecular Formula

  • C33-H21-N11-O11.2Na

Molecular Formula Fragments

  • C33-H21-N11-O11
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H21N11O11.2Na/c45-29(17-10-12-18(13-11-17)35-37-25-27(32(48)49)39-41(30(25)46)21-6-2-8-23(15-21)43(52)53)34-19-4-1-5-20(14-19)36-38-26-28(33(50)51)40-42(31(26)47)22-7-3-9-24(16-22)44(54)55;;/h1-16,25-26H,(H,34,45)(H,48,49)(H,50,51);;/q;2*+1/p-2/b37-35+,38-36+;;

InChIKey

HBCSRCKZLYDXJG-HKXUKFGYSA-L

Smiles

c1cc(cc(c1)/N=N/C2C(=NN(C2=O)c3cccc(c3)[N+](=O)[O-])C(=O)[O-])NC(=O)c4ccc(cc4)/N=N/C5C(=NN(C5=O)c6cccc(c6)[N+](=O)[O-])C(=O)[O-].[Na+].[Na+]