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Substance Name: EINECS 276-464-5
RN: 72207-77-3
InChIKey: MDEYKSHRQIQZPQ-SSXBCGQJSA-L

Classification Code

  • TSCA UVCB

Molecular Formula

  • C12-H12-N2-O3-S.C12-H8-N4-O7.C6-H7-N-O3-S.C6-H6-N2-O2.Fe.2Na

Molecular Weight

  • 995.646
 
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Names and Synonyms

Results Name

  • EINECS 276-464-5

Synonym

  • EINECS 276-464-5

Systematic Names

  • Iron, complexes with diazotized 4-nitrobenzenamine, diazotized sodium 3-aminobenzenesulfonate (1:1) and diazotized sodium 5-amino-2-(phenylamino)benzenesulfonate (1:1) coupled with 4-(2-(2-hydroxy-3,5-dinitrophenyl)diazenyl)-1,3-benzenediol
  • Iron, complexes with diazotized 5-amino-2-(phenylamino)benzenesulfonic acid monosodium salt coupled with 4-((2-hydroxy-3,5-dinitrophenyl)azo)-1,3-benzenediol, diazotized 4-nitrobenzenamine and diazotized 3-aminobenzenesulfonic acid monosodium salt

Registry Numbers

CAS Registry Number

  • 72207-77-3

System Generated Number

  • 0072207773

Molecular Formulas

Molecular Formula

  • C12-H12-N2-O3-S.C12-H8-N4-O7.C6-H7-N-O3-S.C6-H6-N2-O2.Fe.2Na

Molecular Formula Fragments

  • C12-H12-N2-O3-S
  • C12-H8-N4-O7
  • C6-H6-N2-O2
  • C6-H7-N-O3-S
  • COMPONENT
  • Fe
  • Na

Structure Descriptors

InChI

1S/C12H8N4O7.C12H12N2O3S.C6H6N2O2.C6H7NO3S.Fe.2Na/c17-7-1-2-8(11(18)5-7)13-14-9-3-6(15(20)21)4-10(12(9)19)16(22)23;13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10;7-5-1-3-6(4-2-5)8(9)10;7-5-2-1-3-6(4-5)11(8,9)10;;;/h1-5,17-19H;1-8,14H,13H2,(H,15,16,17);1-4H,7H2;1-4H,7H2,(H,8,9,10);;;/q;;;;;2*+1/p-2/b14-13+;;;;;;

InChIKey

MDEYKSHRQIQZPQ-SSXBCGQJSA-L

Smiles

[Na+].c1(cc(ccc1)N)S(=O)(=O)[O-].c1(ccc(cc1)[N+](=O)[O-])N.c1(cc(c(cc1)\N=N\c1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O)O)O.[Na+].c1(c(ccc(c1)N)Nc1ccccc1)S(=O)(=O)[O-].[Fe]