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Substance Name: 4-((4-((4-Chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
RN: 85631-76-1
InChIKey: YSYAHGIFPILKGI-YIWBEPSUSA-K

Molecular Formula

  • C25-H17-Cl-N8-O9-S2.x-Na

Molecular Weight

  • 738.9876
 
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Names and Synonyms

Synonym

  • EINECS 288-025-5

Systematic Name

  • 4-((4-((4-Chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85631-76-1

System Generated Number

  • 0085631761

Molecular Formulas

Molecular Formula

  • C25-H17-Cl-N8-O9-S2.x-Na

Molecular Formula Fragments

  • C25-H17-Cl-N8-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H17ClN8O9S2.3Na/c26-24-28-21(13-4-2-1-3-5-13)29-25(30-24)27-14-6-11-17(18(12-14)45(41,42)43)31-32-19-20(23(36)37)33-34(22(19)35)15-7-9-16(10-8-15)44(38,39)40;;;/h1-12,19H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

YSYAHGIFPILKGI-YIWBEPSUSA-K

Smiles

[Na+].[Na+].[Na+].S(=O)(=O)(c1ccc(cc1)N1N=C(C(C1=O)/N=N/c1c(S(=O)(=O)[O-])cc(Nc2nc(nc(n2)Cl)c2ccccc2)cc1)C(=O)[O-])[O-]