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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)-4-(2-(2-ethoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:3)
RN: 106682-42-2
InChIKey: ZMUBJORDTXVRLW-GPJJUGQNSA-K

Molecular Formula

  • C41-H31-N9-O12-S2.3Na

Molecular Weight

  • 971.8252
 
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Names and Synonyms

Synonym

  • 4-Hydroxy-7-((phenylcarbonyl)amino)-3-((3-(4-((4-((3-sulfophenyl)azo)-2-ethoxyphenyl)azo)-3-carboxy-5-oxo-4,5-dihydro-1H-pyrazolin-1-yl)phenyl)azo)-2-naphthalenesulfonic acid, trisodium salt

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)-4-((2-ethoxy-4-((3-sulfophenyl)azo)phenyl)azo)-4,5-dihydro-5-oxo-, trisodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(3-(2-(6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)-4-(2-(2-ethoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 106682-42-2

System Generated Number

  • 0106682422

Molecular Formulas

Molecular Formula

  • C41-H31-N9-O12-S2.3Na

Molecular Formula Fragments

  • C41-H31-N9-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H31N9O12S2.3Na/c1-2-62-33-22-28(44-43-27-11-7-13-30(21-27)63(56,57)58)15-17-32(33)46-48-36-37(41(54)55)49-50(40(36)53)29-12-6-10-26(20-29)45-47-35-34(64(59,60)61)19-24-18-25(14-16-31(24)38(35)51)42-39(52)23-8-4-3-5-9-23;;;/h3-22,36,51H,2H2,1H3,(H,42,52)(H,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3/b44-43+,47-45+,48-46+;;;

InChIKey

ZMUBJORDTXVRLW-GPJJUGQNSA-K

Smiles

CCOc1cc(ccc1/N=N/C2C(=NN(C2=O)c3cccc(c3)/N=N/c4c(cc5cc(ccc5c4O)NC(=O)c6ccccc6)S(=O)(=O)[O-])C(=O)[O-])/N=N/c7cccc(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]