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Substance Name: Trisodium bis(4-((5-acetyl-2,4-dihydroxyphenyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(3-))ferrate(3-)
RN: 98561-38-7
InChIKey: XDWGFMSSZDAMKR-ZEXGZYBBSA-H

Molecular Formula

  • C36-H20-Fe-N6-O18-S2.3Na

Molecular Weight

  • 1013.525
 
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Names and Synonyms

Synonym

  • EINECS 308-796-4

Systematic Name

  • Trisodium bis(4-((5-acetyl-2,4-dihydroxyphenyl)azo)-3-hydroxy-7-nitronaphthalene-1-sulphonato(3-))ferrate(3-)

Registry Numbers

CAS Registry Number

  • 98561-38-7

System Generated Number

  • 0098561387

Molecular Formulas

Molecular Formula

  • C36-H20-Fe-N6-O18-S2.3Na

Molecular Formula Fragments

  • C36-H20-Fe-N6-O18-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/2C18H13N3O9S.Fe.3Na/c2*1-8(22)11-5-13(15(24)6-14(11)23)19-20-18-10-3-2-9(21(26)27)4-12(10)17(7-16(18)25)31(28,29)30;;;;/h2*2-7,23-25H,1H3,(H,28,29,30);;;;/q;;+3;3*+1/p-6/b2*20-19+;;;;

InChIKey

XDWGFMSSZDAMKR-ZEXGZYBBSA-H

Smiles

CC(=O)c1c(cc2c(c1)/N=N/c3c4cc(c5c3ccc(c5)[N+](=O)[O-])S(=O)(=O)O[Fe-3]67(O4)(O2)OS(=O)(=O)c8c9c(c(c(c8)O6)/N=N/c1c(cc(c(c1)C(=O)C)O)O7)ccc(c9)[N+](=O)[O-])O.[Na+].[Na+].[Na+]