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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:2)
RN: 70865-28-0
InChIKey: XXKGFGPRHOVYBA-YOYNBWDYSA-L

Molecular Formula

  • C19-H12-Cl2-N8-O9-S2.2Na

Molecular Weight

  • 675.353
 
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Names and Synonyms

Synonyms

  • 4-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, disodium salt
  • EINECS 274-955-9

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, disodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:2)
  • Disodium hydrogen 4-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 70865-28-0

System Generated Number

  • 0070865280

Molecular Formulas

Molecular Formula

  • C19-H12-Cl2-N8-O9-S2.2Na

Molecular Formula Fragments

  • C19-H12-Cl2-N8-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H12Cl2N8O9S2.2Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;/q;2*+1/p-2/b27-26+;;

InChIKey

XXKGFGPRHOVYBA-YOYNBWDYSA-L

Smiles

[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1c(cc(cc1)Nc1nc(nc(n1)Cl)Cl)S(=O)(=O)O)C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]