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Substance Name: Octaethylverdohemochrome
RN: 83017-37-2
InChIKey: LQYBKMOQYKFLMN-GUHSLIDZSA-N

Molecular Formula

  • C45-H53-Fe-N6-O

Molecular Weight

  • 749.7997
 
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Names and Synonyms

Name of Substance

  • Octaethylverdohemochrome

Synonyms

  • (2,3,7,8,12,13,17,18-Octaethyl-21H-5-oxaporphinatol-N21,N22,N23,N24)bis(pyridine)iron(1+)
  • Octaethylverdohaemochrome

Systematic Name

  • Iron(1+), (2,3,7,8,12,13,17,18-octaethyl-21H-5-oxaporphinatol-N21,N22,N23,N24)bis(pyridine)-

Registry Numbers

CAS Registry Number

  • 83017-37-2

Other Registry Number

  • 108104-02-5

System Generated Number

  • 0083017372

Structure Descriptors

InChI

1S/C35H43N4O.2C5H5N.Fe/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(38-32)40-35-27(16-8)25(14-6)33(39-35)19-31-23(12-4)21(10-2)29(37-31)17-28(20)36-30;2*1-2-4-6-5-3-1;/h17-19H,9-16H2,1-8H3;2*1-5H;/q-1;;;+2/b28-17-,31-19-,32-18-;;;

InChIKey

LQYBKMOQYKFLMN-GUHSLIDZSA-N

Smiles

CCc1c2/cc/3\nc(/cc/4\nc(/cc/5\nc(oc(c1CC)[n-]2)C(=C5CC)CC)C(=C4CC)CC)C(=C3CC)CC.c1ccncc1.c1ccncc1.[Fe+2]