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Substance Name: Iron(4+), (acetato-O)((2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methylpyridiniumato))(2-)-N21,N22,N23,N24)-, (SP-5-12)-
RN: 119237-30-8
InChIKey: OIPHHDMQOHVDID-UHFFFAOYSA-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-2-yl)-21H,23H-porphinato)-
  • Pyridinium, 2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methyl-, Fe complex

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 119237-30-8

System Generated Number

  • 0119237308

Structure Descriptors

InChI

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

InChIKey

OIPHHDMQOHVDID-UHFFFAOYSA-M

Smiles

CC(=O)[O-].C[n+]1c(cccc1)/c/2c\3/nc(/c(c/4\[n-]/c(c(\c5n/c(c(\c6[n-]c2cc6)/c7[n+](cccc7)C)/C=C5)/c8[n+](cccc8)C)/cc4)/c9[n+](cccc9)C)C=C3.[Fe+3]