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Substance Name: Octaethylheme
RN: 61085-06-1
InChIKey: ITAAUOKPOOKZDV-XTPDIVBZSA-N

Molecular Weight

  • 588.617
 
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Names and Synonyms

Name of Substance

  • Octaethylheme

Synonym

  • Ferric octaethylporphyrin

Systematic Name

  • Iron, (2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 61085-06-1

System Generated Number

  • 0061085061

Structure Descriptors

InChI

1S/C36H44N4.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;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;

InChIKey

ITAAUOKPOOKZDV-XTPDIVBZSA-N

Smiles

c12C(=C(c(n2)cc2[n-]c(cc3nc(C(=C3CC)CC)cc3c(c(c([n-]3)c1)CC)CC)c(CC)c2CC)CC)CC.[Fe+2]