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Substance Name: Trisodium 8-hydroxy-7-((4'-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-1,6-disulphonate
RN: 6655-96-5
InChIKey: IPLMDVUXIBTTFD-JVQXNHMDSA-K

Molecular Formula

  • C40-H31-N5-O13-S3.3Na

Molecular Weight

  • 951.8512
 
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Names and Synonyms

Synonym

  • EINECS 229-684-0

Systematic Name

  • Trisodium 8-hydroxy-7-((4'-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-1,6-disulphonate

Registry Numbers

CAS Registry Number

  • 6655-96-5

System Generated Number

  • 0006655965

Molecular Formulas

Molecular Formula

  • C40-H31-N5-O13-S3.3Na

Molecular Formula Fragments

  • C40-H31-N5-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C40H31N5O13S3.3Na/c1-57-31-18-22(11-15-29(31)42-44-37-35(61(54,55)56)21-25-17-27(13-14-28(25)39(37)46)41-26-8-4-3-5-9-26)23-12-16-30(32(19-23)58-2)43-45-38-34(60(51,52)53)20-24-7-6-10-33(59(48,49)50)36(24)40(38)47;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b44-42+,45-43+;;;

InChIKey

IPLMDVUXIBTTFD-JVQXNHMDSA-K

Smiles

COc1cc(ccc1/N=N/c2c(cc3cccc(c3c2O)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(c(c4)OC)/N=N/c5c(cc6cc(ccc6c5O)Nc7ccccc7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]