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Substance Name: Trisodium 7-((4'-((6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-8-hydroxynaphthalene-1,6-disulphonate
RN: 79135-81-2
InChIKey: ZIDZRFIGBBNBQM-PRJGFXSFSA-K

Molecular Formula

  • C41-H31-N5-O14-S3.3Na

Molecular Weight

  • 979.8612
 
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Names and Synonyms

Synonym

  • EINECS 279-081-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79135-81-2

System Generated Number

  • 0079135812

Molecular Formulas

Molecular Formula

  • C41-H31-N5-O14-S3.3Na

Molecular Formula Fragments

  • C41-H31-N5-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H31N5O14S3.3Na/c1-59-31-18-23(24-12-16-30(32(19-24)60-2)44-46-38-34(62(53,54)55)20-25-9-6-10-33(61(50,51)52)36(25)40(38)48)11-15-29(31)43-45-37-35(63(56,57)58)21-26-17-27(13-14-28(26)39(37)47)42-41(49)22-7-4-3-5-8-22;;;/h3-21,47-48H,1-2H3,(H,42,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b45-43+,46-44+;;;

InChIKey

ZIDZRFIGBBNBQM-PRJGFXSFSA-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)NC(=O)c7ccccc7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]