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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(2,4-dihydroxyphenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-6-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:3)
RN: 68318-35-4
InChIKey: SACZVYJIBHJNEN-UGNPVYGESA-K

Molecular Formula

  • C36-H29-N7-O12-S3.3Na

Molecular Weight

  • 913.806
 
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Names and Synonyms

Synonym

  • EINECS 269-759-5

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((2,4-dihydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulfophenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-(2-(4'-(2-(2,4-dihydroxyphenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-5-hydroxy-6-(2-(4-sulfophenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 4-amino-3-((4'-((2,4-dihydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-((4-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 68318-35-4

System Generated Number

  • 0068318354

Molecular Formulas

Molecular Formula

  • C36-H29-N7-O12-S3.3Na

Molecular Formula Fragments

  • C36-H29-N7-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H29N7O12S3.3Na/c1-18-13-20(3-10-26(18)39-41-28-12-7-24(44)17-29(28)45)21-4-11-27(19(2)14-21)40-42-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)37)43-38-23-5-8-25(9-6-23)56(47,48)49;;;/h3-17,44-46H,37H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b41-39+,42-40+,43-38+;;;

InChIKey

SACZVYJIBHJNEN-UGNPVYGESA-K

Smiles

c1(S([O-])(=O)=O)c(c(N)c2c(c1)cc(S([O-])(=O)=O)c(c2O)\N=N\c1ccc(S([O-])(=O)=O)cc1)\N=N\c1c(cc(c2cc(C)c(\N=N\c3c(cc(cc3)O)O)cc2)cc1)C.[Na+].[Na+].[Na+]