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Substance Name: Benzenesulfonic acid, 3-(2-(3-methoxy-4-((((2-methoxy-5-methyl-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
RN: 68958-99-6
InChIKey: XLILCWUYTWMKAB-DUCFOALUSA-L

Molecular Formula

  • C28-H26-N6-O9-S2.2Na

Molecular Weight

  • 698.643
 
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Names and Synonyms

Synonyms

  • Benzenesulfonic acid, m-((5-methoxy-4-(3-(2-methoxy-4-((m-sulfophenyl)azo)phenyl)ureido)-o-tolyl)azo)-, disodium salt
  • EINECS 273-385-8

Systematic Names

  • Benzenesulfonic acid, 3-((3-methoxy-4-((((2-methoxy-5-methyl-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-, disodium salt
  • Benzenesulfonic acid, 3-(2-(3-methoxy-4-((((2-methoxy-5-methyl-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-, sodium salt (1:2)
  • Disodium 3-((3-methoxy-4-(((2-methoxy-5-methyl-4-((3-sulphonatophenyl)azo)anilino)carbamoyl)amino)phenyl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 68958-99-6

System Generated Number

  • 0068958996

Molecular Formulas

Molecular Formula

  • C28-H26-N6-O9-S2.2Na

Molecular Formula Fragments

  • C28-H26-N6-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H26N6O9S2.2Na/c1-17-12-25(27(43-3)16-24(17)34-33-19-7-5-9-22(14-19)45(39,40)41)30-28(35)29-23-11-10-20(15-26(23)42-2)32-31-18-6-4-8-21(13-18)44(36,37)38;;/h4-16H,1-3H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b32-31+,34-33+;;

InChIKey

XLILCWUYTWMKAB-DUCFOALUSA-L

Smiles

S(=O)(=O)([O-])c1cc(\N=N\c2cc(OC)c(NC(=O)Nc3cc(C)c(\N=N\c4cc(S(=O)(=O)[O-])ccc4)cc3OC)cc2)ccc1.[Na+].[Na+]