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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)-4,5-dihydro-4-(2-(2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)diazenyl)-5-oxo-, sodium salt (1:3)
RN: 71701-23-0
InChIKey: UIWQFMHHKRSASC-GPJJUGQNSA-K

Molecular Formula

  • C40-H30-N10-O12-S2.3Na

Molecular Weight

  • 972.8133
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 71701-23-0

System Generated Number

  • 0071701230

Molecular Formulas

Molecular Formula

  • C40-H30-N10-O12-S2.3Na

Molecular Formula Fragments

  • C40-H30-N10-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H30N10O12S2.3Na/c1-62-32-20-27(44-43-26-5-3-7-29(19-26)63(56,57)58)13-15-31(32)46-48-35-36(40(54)55)49-50(39(35)53)28-6-2-4-25(18-28)45-47-34-33(64(59,60)61)17-22-16-24(12-14-30(22)37(34)51)42-38(52)21-8-10-23(41)11-9-21;;;/h2-20,35,51H,41H2,1H3,(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

UIWQFMHHKRSASC-GPJJUGQNSA-K

Smiles

COc1cc(ccc1/N=N/C2C(=NN(C2=O)c3cccc(c3)/N=N/c4c(cc5cc(ccc5c4O)NC(=O)c6ccc(cc6)N)S(=O)(=O)[O-])C(=O)[O-])/N=N/c7cccc(c7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]