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Substance Name: Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)
RN: 64743-15-3
InChIKey: XBDCAYVWYHUKGF-RJRYFTGXSA-L

Molecular Formula

  • C34-H30-N8-O6-S.2Na

Molecular Weight

  • 722.691
 
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Names and Synonyms

  • Benzoic acid, 5-((4'-((2,6-diamino-3-methyl-5-((4-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt
  • Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-methyl-5-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 64743-15-3

System Generated Number

  • 0064743153

Molecular Formulas

Molecular Formula

  • C34-H30-N8-O6-S.2Na

Molecular Formula Fragments

  • C34-H30-N8-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H30N8O6S.2Na/c1-18-14-21(4-11-27(18)39-38-24-8-13-30(43)26(17-24)34(44)45)22-5-12-28(19(2)15-22)40-42-33-31(35)20(3)16-29(32(33)36)41-37-23-6-9-25(10-7-23)49(46,47)48;;/h4-17,43H,35-36H2,1-3H3,(H,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-37+,42-40+;;

InChIKey

XBDCAYVWYHUKGF-RJRYFTGXSA-L

Smiles

S(=O)(=O)([O-])c1ccc(\N=N\c2c(N)c(\N=N\c3c(C)cc(c4cc(C)c(\N=N\c5cc(C(=O)[O-])c(O)cc5)cc4)cc3)c(N)c(C)c2)cc1.[Na+].[Na+]