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Substance Name: (1,1'-Biphenyl)-3-sulfonic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-4'-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:2)
RN: 72139-23-2
InChIKey: WSUXMBNHGJJTFJ-ZIJRHPRESA-L

Molecular Formula

  • C26-H18-Cl3-N7-O7-S2.2Na

Molecular Weight

  • 754.925
 
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Names and Synonyms

Synonym

  • EINECS 276-379-3

Systematic Names

  • (1,1'-Biphenyl)-3-sulfonic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)azo)-4'-((2,5,6-trichloro-4-pyrimidinyl)amino)-, disodium salt
  • (1,1'-Biphenyl)-3-sulfonic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-4'-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:2)
  • Disodium 4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-4'-((2,5,6-trichloropyrimidin-4-yl)amino)(1,1'-biphenyl)-3-sulphonate

Registry Numbers

CAS Registry Number

  • 72139-23-2

System Generated Number

  • 0072139232

Molecular Formulas

Molecular Formula

  • C26-H18-Cl3-N7-O7-S2.2Na

Molecular Formula Fragments

  • C26-H18-Cl3-N7-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H18Cl3N7O7S2.2Na/c1-13-22(25(37)36(35-13)17-7-9-18(10-8-17)44(38,39)40)34-33-19-11-4-15(12-20(19)45(41,42)43)14-2-5-16(6-3-14)30-24-21(27)23(28)31-26(29)32-24;;/h2-12,22H,1H3,(H,30,31,32)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b34-33+;;

InChIKey

WSUXMBNHGJJTFJ-ZIJRHPRESA-L

Smiles

[Na+].[Na+].c1(cc(c(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)S(=O)(=O)[O-])c1ccc(cc1)Nc1nc(nc(c1Cl)Cl)Cl