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Substance Name: Ferric chlorin
RN: 117828-53-2
InChIKey: SLYZIQLDWVTYHU-UHFFFAOYSA-K

Molecular Formula

  • C33-H34-Fe-N4-O4.H

Molecular Weight

  • 607.508
 
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Names and Synonyms

Name of Substance

  • Ferric chlorin

Synonym

  • Iron(III) chlorin

Systematic Name

  • Ferrate(1-), (7,8-dihydro-3,7,8,8,12,13,17-heptamethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, hydrogen, (SP-4-2-)-

Registry Numbers

CAS Registry Number

  • 117828-53-2

System Generated Number

  • 0117828532

Molecular Formulas

Molecular Formula

  • C33-H34-Fe-N4-O4.H

Molecular Formula Fragments

  • C33-H34-Fe-N4-O4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C33H38N4O4.Fe/c1-16-17(2)26-15-30-33(6,7)20(5)27(37-30)13-25-19(4)22(9-11-32(40)41)29(36-25)14-28-21(8-10-31(38)39)18(3)24(35-28)12-23(16)34-26;/h12-15,20H,8-11H2,1-7H3,(H4,34,35,36,37,38,39,40,41);/q;+3/p-3

InChIKey

SLYZIQLDWVTYHU-UHFFFAOYSA-K

Smiles

c12C(=C(c(n2)cc2[n-]c(cc3nc(C(C)(C)[C@@H]3C)cc3c(c(c([n-]3)c1)C)C)c(C)c2CCC([O-])=O)CCC([O-])=O)C.[Fe+3]