Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

CAS Registry Number®

23700-19-8
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CAS Name

Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)

Molecular Formula

C36H21FeN9O6.O4S

Cite this Page

Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23700-19-8 (retrieved 2024-08-08) (CAS RN: 23700-19-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/3C12H7N3O2.Fe.H2O4S/c3*16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;;1-5(2,3)4/h3*1-7H;;(H2,1,2,3,4)/q;;;+2;/p-2

InChIKey

InChIKey=BIRHYPBZQIOMFF-UHFFFAOYSA-L

SMILES

N(=O)(=O)C=1C2=C3[N]([Fe+2]45([N]=6C=7C=8[N]4=CC=CC8C=C(N(=O)=O)C7C=CC6)([N]=9C=%10C=%11[N]5=CC=CC%11C=C(N(=O)=O)C%10C=CC9)[N]=%12C3=C(C1)C=CC%12)=CC=C2.S(=O)(=O)([O-])[O-]

Canonical SMILES

O=N(=O)C1=CC2=CC=C[N]3=C2C=4C1=CC=C[N]4[Fe+2]356([N]=7C=CC=C8C=C(C9=CC=C[N]5=C9C87)N(=O)=O)[N]=%10C=CC=C%11C=C(C%12=CC=C[N]6=C%12C%11%10)N(=O)=O.O=S(=O)([O-])[O-]

Other Names for this Substance

  • Iron(2+), tris(5-nitro-1,10-phenanthroline-κN1,κN10)-, sulfate (1:1)
  • Iron(2+), tris(5-nitro-1,10-phenanthroline)-, sulfate (1:1)
  • Iron(2+), tris(5-nitro-1,10-phenanthroline-N1,N10)-, sulfate (1:1)
  • 1,10-Phenanthroline, 5-nitro-, iron complex
  • Tris(5-nitro-1,10-phenanthroline)iron(II) sulfate

Deleted or Replaced CAS Registry Numbers

25669-90-3