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Substance Name: Benzoic acid, 5-((((3-carboxy-4-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)amino)carbonyl)amino)-2-(2-(2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)diazenyl)-, sodium salt (1:4)
RN: 6391-32-8
InChIKey: WXJZITSJKRYLEF-ZTJYFDIRSA-J

Molecular Formula

  • C36-H32-N8-O16-S2.4Na

Molecular Weight

  • 984.7492
 
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Names and Synonyms

Synonym

  • 5,5'-(Carbonyldiimino)-2-((1-((2-methoxy-5-sulfophenyl)amino)-1,3-dioxo-2-butyl)azo)-2'-((1'-((4'-sulfophenyl)amino)-1',3'-dioxo-2'-butyl)azo)bis(benzoic acid), tetrasodium salt

Systematic Names

  • Benzoic acid, 5-((((3-carboxy-4-((1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)amino)carbonyl)amino)-2-((2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)azo)-, tetrasodium salt
  • Benzoic acid, 5-((((3-carboxy-4-(2-(1-(((2-methoxy-5-sulfophenyl)amino)carbonyl)-2-oxopropyl)diazenyl)phenyl)amino)carbonyl)amino)-2-(2-(2-oxo-1-(((4-sulfophenyl)amino)carbonyl)propyl)diazenyl)-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 6391-32-8

System Generated Number

  • 0006391328

Molecular Formulas

Molecular Formula

  • C36-H32-N8-O16-S2.4Na

Molecular Formula Fragments

  • C36-H32-N8-O16-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H32N8O16S2.4Na/c1-17(45)30(32(47)37-19-4-8-22(9-5-19)61(54,55)56)43-41-26-11-6-20(14-24(26)34(49)50)38-36(53)39-21-7-12-27(25(15-21)35(51)52)42-44-31(18(2)46)33(48)40-28-16-23(62(57,58)59)10-13-29(28)60-3;;;;/h4-16,30-31H,1-3H3,(H,37,47)(H,40,48)(H,49,50)(H,51,52)(H2,38,39,53)(H,54,55,56)(H,57,58,59);;;;/q;4*+1/p-4/b43-41+,44-42+;;;;

InChIKey

WXJZITSJKRYLEF-ZTJYFDIRSA-J

Smiles

CC(=O)C(C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])/N=N/c2ccc(cc2C(=O)[O-])NC(=O)Nc3ccc(c(c3)C(=O)[O-])/N=N/C(C(=O)C)C(=O)Nc4cc(ccc4OC)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]