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Substance Name: Tetrasodium 4,4'-bis((2,5-dimethyl-4-((4-sulphonatophenyl)azo)phenyl)azo)stilbene-2,2'-disulphonate
RN: 85959-56-4
InChIKey: XUBBRWVWKGOFBE-NTOGASFESA-J

Molecular Formula

  • C42-H36-N8-O12-S4.4Na

Molecular Weight

  • 1060.9828
 
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Names and Synonyms

Synonym

  • EINECS 289-050-4

Systematic Name

  • Tetrasodium 4,4'-bis((2,5-dimethyl-4-((4-sulphonatophenyl)azo)phenyl)azo)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 85959-56-4

System Generated Number

  • 0085959564

Molecular Formulas

Molecular Formula

  • C42-H36-N8-O12-S4.4Na

Molecular Formula Fragments

  • C42-H36-N8-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H36N8O12S4.4Na/c1-25-21-39(27(3)19-37(25)47-43-31-11-15-35(16-12-31)63(51,52)53)49-45-33-9-7-29(41(23-33)65(57,58)59)5-6-30-8-10-34(24-42(30)66(60,61)62)46-50-40-22-26(2)38(20-28(40)4)48-44-32-13-17-36(18-14-32)64(54,55)56;;;;/h5-24H,1-4H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b6-5+,47-43+,48-44+,49-45+,50-46+;;;;

InChIKey

XUBBRWVWKGOFBE-NTOGASFESA-J

Smiles

Cc1c(cc(c(c1)/N=N/c2ccc(cc2)S(=O)(=O)[O-])C)/N=N/c3cc(c(cc3)/C=C/c4c(cc(cc4)/N=N/c5c(cc(c(c5)C)/N=N/c6ccc(cc6)S(=O)(=O)[O-])C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]