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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
RN: 64653-30-1
InChIKey: RIEAYKBZYYIPJK-QNEJGDQOSA-N

Molecular Formula

  • C25-H17-Cl-N8-O9-S2

Molecular Weight

  • 673.041
 
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Names and Synonyms

  • 1H-Pyrazole-3-carboxylic acid, 4-((4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(4-((4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-

Registry Numbers

CAS Registry Number

  • 64653-30-1

System Generated Number

  • 0064653301

Structure Descriptors

InChI

1S/C25H17ClN8O9S2/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/h1-12,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,27,28,29,30)/b32-31+

InChIKey

RIEAYKBZYYIPJK-QNEJGDQOSA-N

Smiles

O=C(O)c1nn(c(O)c1\N=N\c1c(S(=O)(=O)O)cc(Nc2nc(nc(c3ccccc3)n2)Cl)cc1)c1ccc(S(=O)(=O)O)cc1