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Substance Name: Iron(4+), (acetato-O)((3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridiniumato))(2-)-N21,N22,N23,N24)-, (SP-5-12)-
RN: 83201-55-2
InChIKey: FEZSYLNJWBUPNB-YKKPBKTHSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C46-H39-Fe-N8-O2

Molecular Weight

  • 791.7131
 
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Names and Synonyms

Synonyms

  • Iron(III), acetato(5,10,15,20-tetrakis(1-methylpyridinium-3-yl)-21H,23H-porphinato)-
  • Pyridinium, 3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methyl-, Fe complex

Systematic Name

  • Iron(4+), (acetato-O)((3,3',3'',3'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridiniumato))(2-)-N21,N22,N23,N24)-, (SP-5-12)-

Registry Numbers

CAS Registry Number

  • 83201-55-2

System Generated Number

  • 0083201552

Structure Descriptors

InChI

1S/C44H36N8.C2H4O2.Fe/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31;1-2(3)4;/h5-28H,1-4H3;1H3,(H,3,4);/q+2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;

InChIKey

FEZSYLNJWBUPNB-YKKPBKTHSA-M

Smiles

CC(=O)[O-].C[n+]1cc(ccc1)/c/2c\3/nc(/c(c/4\[n-]/c(c(\c5n/c(c(\c6[n-]c2cc6)/c7c[n+](ccc7)C)/C=C5)/c8c[n+](ccc8)C)/cc4)/c9c[n+](ccc9)C)C=C3.[Fe+3]