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Substance Name: 5-((4-((4-((6-((4-Amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-methylbenzoyl)amino)phenyl)azo)salicylic acid, sodium salt
RN: 93964-14-8
InChIKey: GTOPKYLHZFSSLQ-AVKGXOGNSA-L

Molecular Formula

  • C39-H31-N7-O9-S.x-Na

Molecular Weight

  • 817.7441
 
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Names and Synonyms

Synonym

  • EINECS 300-862-0

Systematic Name

  • 5-((4-((4-((6-((4-Amino-3-methylbenzoyl)amino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-3-methylbenzoyl)amino)phenyl)azo)salicylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 93964-14-8

System Generated Number

  • 0093964148

Molecular Formulas

Molecular Formula

  • C39-H31-N7-O9-S.x-Na

Molecular Formula Fragments

  • C39-H31-N7-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H31N7O9S.2Na/c1-20-15-22(3-12-31(20)40)38(50)42-27-9-11-29-24(17-27)18-34(56(53,54)55)35(36(29)48)46-45-32-13-4-23(16-21(32)2)37(49)41-25-5-7-26(8-6-25)43-44-28-10-14-33(47)30(19-28)39(51)52;;/h3-19,47-48H,40H2,1-2H3,(H,41,49)(H,42,50)(H,51,52)(H,53,54,55);;/q;2*+1/p-2/b44-43+,46-45+;;

InChIKey

GTOPKYLHZFSSLQ-AVKGXOGNSA-L

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2c(cc(C(=O)Nc3ccc(/N=N/c4cc(C(=O)[O-])c(cc4)O)cc3)cc2)C)c(c2c(c1)cc(NC(=O)c1cc(c(cc1)N)C)cc2)O.[Na+].[Na+]