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Substance Name: Benzoic acid, 3,3'-methylenebis(6-(2-(2,4-dihydroxy-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:?)
RN: 85223-35-4
InChIKey: VNIWNAXYRRNEDI-OONTTXMGSA-J

Molecular Formula

  • C39-H28-N8-O14-S2.x-Na

Molecular Weight

  • 984.753
 
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Names and Synonyms

Synonym

  • EINECS 286-391-0

Systematic Names

  • 3,3'-Methylenebis(6-((2,4-dihydroxy-5-((4-sulphophenyl)azo)phenyl)azo)benzoic) acid, sodium salt
  • Benzoic acid, 3,3'-methylenebis(6-((2,4-dihydroxy-5-((4-sulfonylphenyl)azo)phenyl)azo)-, sodium salt
  • Benzoic acid, 3,3'-methylenebis(6-((2,4-dihydroxy-5-((4-sulfophenyl)azo)phenyl)azo)-, sodium salt
  • Benzoic acid, 3,3'-methylenebis(6-(2-(2,4-dihydroxy-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 85223-35-4

Other Registry Number

  • 102616-51-3

System Generated Number

  • 0085223354

Molecular Formulas

Molecular Formula

  • C39-H28-N8-O14-S2.x-Na

Molecular Formula Fragments

  • C39-H28-N8-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H28N8O14S2.4Na/c48-34-18-36(50)32(16-30(34)44-40-22-3-7-24(8-4-22)62(56,57)58)46-42-28-11-1-20(14-26(28)38(52)53)13-21-2-12-29(27(15-21)39(54)55)43-47-33-17-31(35(49)19-37(33)51)45-41-23-5-9-25(10-6-23)63(59,60)61;;;;/h1-12,14-19,48-51H,13H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b44-40+,45-41+,46-42+,47-43+;;;;

InChIKey

VNIWNAXYRRNEDI-OONTTXMGSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].C(c1cc(C(=O)[O-])c(cc1)\N=N\c1c(cc(c(c1)\N=N\c1ccc(cc1)S(=O)(=O)[O-])O)O)c1cc(C(=O)[O-])c(cc1)\N=N\c1c(cc(c(c1)\N=N\c1ccc(cc1)S(=O)(=O)[O-])O)O