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Substance Name: Octaethylporphyrinatoiron(III)perchlorate
RN: 50540-30-2
InChIKey: MWBOLLOAHYJQAU-YAJYDHHFSA-M

Molecular Weight

  • 688.066
 
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Names and Synonyms

Name of Substance

  • Octaethylporphyrinatoiron(III)perchlorate

Synonym

  • Oep-Fe(III)clo4

Systematic Name

  • Iron, (2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)(perchlorato-O)-, (SP-5-12)-

Registry Numbers

CAS Registry Number

  • 50540-30-2

System Generated Number

  • 0050540302

Structure Descriptors

InChI

1S/C36H44N4.ClHO4.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;2-1(3,4)5;/h17-20H,9-16H2,1-8H3;(H,2,3,4,5);/q-2;;+3/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;

InChIKey

MWBOLLOAHYJQAU-YAJYDHHFSA-M

Smiles

c12C(CC)=C(CC)c(cc3[n-]c(cc4C(CC)=C(CC)c(n4)cc4c(c(CC)c(c1)[n-]4)CC)c(CC)c3CC)n2.[Fe+3].Cl(=O)(=O)(=O)[O-]