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Substance Name: Disodium 4-((2,4-diaminophenyl)azo)-4'-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonate
RN: 84176-81-8
InChIKey: JXMZWPARKFMUJU-KZIIJSKASA-L

Molecular Formula

  • C28-H24-N8-O7-S2.2Na

Molecular Weight

  • 692.6428
 
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Names and Synonyms

Synonym

  • EINECS 282-348-5

Systematic Name

  • Disodium 4-((2,4-diaminophenyl)azo)-4'-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 84176-81-8

System Generated Number

  • 0084176818

Molecular Formulas

Molecular Formula

  • C28-H24-N8-O7-S2.2Na

Molecular Formula Fragments

  • C28-H24-N8-O7-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H24N8O7S2.2Na/c1-16-27(28(37)36(35-16)20-5-3-2-4-6-20)34-32-19-9-11-22(26(15-19)45(41,42)43)21-10-8-18(14-25(21)44(38,39)40)31-33-24-12-7-17(29)13-23(24)30;;/h2-15,27H,29-30H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b33-31+,34-32+;;

InChIKey

JXMZWPARKFMUJU-KZIIJSKASA-L

Smiles

CC1=NN(C(=O)C1/N=N/c2ccc(c(c2)S(=O)(=O)[O-])c3ccc(cc3S(=O)(=O)[O-])/N=N/c4ccc(cc4N)N)c5ccccc5.[Na+].[Na+]