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Substance Name: Ferrate(2-), (3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-4-hydroxy-5-(2-(2-methyl-5-((methylsulfonyl)amino)-4-(2-(4-(phenylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-3-(2-phenyldiazenyl)phenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(4-))-, sodium hydrogen (1:1:1)
RN: 104199-51-1
InChIKey: PTXDUWIFJGIUPT-GROFPTGNSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C42-H29-Fe-N11-O13-S3.H.Na

Molecular Weight

  • 1079.5
 
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Names and Synonyms

  • Ferrate(2-), (3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-4-hydroxy-5-((2-methyl-5-((methylsulfonyl)amino)-4-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-3-(phenylazo)phenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(4-))-, sodium hydrogen
  • Ferrate(2-), (3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-4-hydroxy-5-(2-(2-methyl-5-((methylsulfonyl)amino)-4-(2-(4-(phenylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-3-(2-phenyldiazenyl)phenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(4-))-, sodium hydrogen (1:1:1)
  • Ferrate(2-), (4-((2,4-dihydroxy-5-((2-methyl-5-((methylsulfonyl)amino)-4-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo)-3-(phenylazo)phenyl)azo)-3-hydroxy-7-nitro-1-naphthalenesulfonato(4-))-, sodium hydrogen

Registry Numbers

CAS Registry Number

  • 104199-51-1

System Generated Number

  • 0104199511

Molecular Formulas

Molecular Formula

  • C42-H29-Fe-N11-O13-S3.H.Na

Molecular Formula Fragments

  • C42-H29-Fe-N11-O13-S3
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C42H33N11O13S3.Cu.Na/c1-23-17-32(47-45-26-13-16-30(38(18-26)69(64,65)66)43-24-9-5-3-6-10-24)33(52-67(2,59)60)20-31(23)46-48-34-21-35(42(56)40(41(34)55)51-44-25-11-7-4-8-12-25)49-50-39-28-15-14-27(53(57)58)19-29(28)37(22-36(39)54)68(61,62)63;;/h3-22,43,52,54-56H,1-2H3,(H,61,62,63)(H,64,65,66);;/q;+2;+1/p-3/b47-45+,48-46+,50-49+,51-44+;;

InChIKey

PTXDUWIFJGIUPT-GROFPTGNSA-K

Smiles

[Cu+2].S([O-])(=O)(=O)c1cc(\N=N\c2c(cc(\N=N\c3cc(\N=N\c4c5c(cc(cc5)[N+]([O-])=O)c(cc4[O-])S([O-])(=O)=O)c(c(\N=N\c4ccccc4)c3O)[O-])c(C)c2)NS(C)(=O)=O)ccc1Nc1ccccc1.[Na+]