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Substance Name: Trisodium 4-hydroxy-3-((4'-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate
RN: 6473-33-2
InChIKey: AXHGVKBKZODTCG-BOXWNSCSSA-K

Molecular Formula

  • C34-H26-N4-O13-S3.3Na

Molecular Weight

  • 860.7387
 
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Names and Synonyms

Synonym

  • EINECS 229-328-4

Systematic Name

  • Trisodium 4-hydroxy-3-((4'-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 6473-33-2

System Generated Number

  • 0006473332

Molecular Formulas

Molecular Formula

  • C34-H26-N4-O13-S3.3Na

Molecular Formula Fragments

  • C34-H26-N4-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H26N4O13S3.3Na/c1-50-28-14-18(7-11-25(28)35-37-27-17-30(53(44,45)46)23-5-3-4-6-24(23)33(27)39)19-8-12-26(29(15-19)51-2)36-38-32-31(54(47,48)49)16-20-13-21(52(41,42)43)9-10-22(20)34(32)40;;;/h3-17,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b37-35+,38-36+;;;

InChIKey

AXHGVKBKZODTCG-BOXWNSCSSA-K

Smiles

COc1cc(ccc1/N=N/c2cc(c3ccccc3c2O)S(=O)(=O)[O-])c4ccc(c(c4)OC)/N=N/c5c(cc6cc(ccc6c5O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]