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Substance Name: Disodium hydrogen 5-((4'-((8-amino-1-hydroxy-7-((4-nitrophenyl)azo)-3,6-disulphonato-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate
RN: 59620-58-5
InChIKey: OJLROSQSQLGAGD-SDWMYVAGSA-L

Molecular Formula

  • C35-H24-N8-O12-S2.2Na

Molecular Weight

  • 856.7148
 
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Names and Synonyms

Synonym

  • EINECS 261-827-2

Systematic Name

  • Disodium hydrogen 5-((4'-((8-amino-1-hydroxy-7-((4-nitrophenyl)azo)-3,6-disulphonato-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 59620-58-5

System Generated Number

  • 0059620585

Molecular Formulas

Molecular Formula

  • C35-H24-N8-O12-S2.2Na

Molecular Formula Fragments

  • C35-H24-N8-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H24N8O12S2.2Na/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2/b40-37+,41-38+,42-39+;;

InChIKey

OJLROSQSQLGAGD-SDWMYVAGSA-L

Smiles

c1cc(ccc1c2ccc(cc2)/N=N/c3c(cc4cc(c(c(c4c3O)N)/N=N/c5ccc(cc5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c6ccc(c(c6)C(=O)O)O.[Na+].[Na+]