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Substance Name: EINECS 276-829-9
RN: 72779-11-4
InChIKey: ZKWKVBJICOELGT-DPNPEPKWSA-K

Molecular Formula

  • C70-H44-Fe-N16-O24-S4.5H

Molecular Weight

  • 1682.35
 
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Names and Synonyms

Results Name

  • EINECS 276-829-9

Synonyms

  • EINECS 276-829-9
  • Iron complex of, 1-Naphthalonesulfonic acid 3-hydroxy-4-((2,4-dihydroxy-5-((2-methoxyphenyl)azo)-3-((3-sulfo-4-(phenylamino)phenyl)azo)phenyl)azo)-7-nitro

Systematic Names

  • Ferrate(5-), bis(4-((2-(hydroxy-kappaO)-4-hydroxy-5-((2-methoxyphenyl)azo)-3-((4-(phenylamino)-3-sulfophenyl)azo)phenyl)azo-kappaN1)-3-(hydroxy-kappaO)-7-nitro-1-naphthalenesulfonato(4-))-, pentahydrogen
  • Ferrate(5-), bis(4-(2-(2-(hydroxy-kappaO)-4-hydroxy-5-(2-(2-methoxyphenyl)diazenyl)-3-(2-(4-(phenylamino)-3-sulfophenyl)diazenyl)phenyl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-7-nitro-1-naphthalenesulfonato(4-))-, hydrogen (1:5)
  • Pentahydrogen bis(4-((2,4-dihydroxy-5-((2-methoxyphenyl)azo)-3-((4-(phenylamino)-3-sulphophenyl)azo)phenyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(4-))ferrate(5-)

Registry Numbers

CAS Registry Number

  • 72779-11-4

System Generated Number

  • 0072779114

Molecular Formulas

Molecular Formula

  • C70-H44-Fe-N16-O24-S4.5H

Molecular Formula Fragments

  • C70-H44-Fe-N16-O24-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C35H26N8O12S2.Fe/c2*1-55-29-10-6-5-9-24(29)38-39-26-17-27(40-41-32-22-13-12-21(43(47)48)16-23(22)30(18-28(32)44)56(49,50)51)35(46)33(34(26)45)42-37-20-11-14-25(31(15-20)57(52,53)54)36-19-7-3-2-4-8-19;/h2*2-18,36,44-46H,1H3,(H,49,50,51)(H,52,53,54);/q;;+3/p-3/b2*39-38+,41-40+,42-37+;

InChIKey

ZKWKVBJICOELGT-DPNPEPKWSA-K

Smiles

[Fe+3].c1(cc(ccc1Nc1ccccc1)\N=N\c1c(c(\N=N\c2c([O-])cc(S([O-])(=O)=O)c3cc(ccc23)[N+]([O-])=O)cc(c1O)\N=N\c1c(cccc1)OC)[O-])S(=O)([O-])=O.c1(S([O-])(=O)=O)cc(\N=N\c2c(c(\N=N\c3c(cc(c4c3ccc(c4)[N+]([O-])=O)S([O-])(=O)=O)[O-])cc(c2O)\N=N\c2c(cccc2)OC)[O-])ccc1Nc1ccccc1