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Substance Name: Iron(1+), ((4,4',4'',4'''-(21H,23H-porpine-5,10,15,20-tetrayl)tetrakis(benzenaminato))(2-)-N21,N22,N23,N24)-, chloride, (SP-4-1)-
RN: 87097-67-4
InChIKey: OZGYLUYIRMENLZ-YKKPBKTHSA-M

Molecular Formula

  • C44-H32-Fe-N8.Cl

Molecular Weight

  • 764.091
 
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Names and Synonyms

Synonym

  • (SP-4-1)-((4,4',4'',4'''-(21H,23H-Porpine-5,10,15,20-tetrayl)tetrakis(benzenaminato))(2-)-N21,N22,N23,N24)iron(1+) chloride

Systematic Name

  • Iron(1+), ((4,4',4'',4'''-(21H,23H-porpine-5,10,15,20-tetrayl)tetrakis(benzenaminato))(2-)-N21,N22,N23,N24)-, chloride, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 87097-67-4

System Generated Number

  • 0087097674

Molecular Formulas

Molecular Formula

  • C44-H32-Fe-N8.Cl

Molecular Formula Fragments

  • C44-H32-Fe-N8
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C44H32N8.ClH.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;;/h1-24H,45-48H2;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;

InChIKey

OZGYLUYIRMENLZ-YKKPBKTHSA-M

Smiles

[ClH-].[Fe+3].c1cc2c(c3C=Cc(n3)c(c3[n-]c(c(c4ccc(cc4)N)c4C=Cc(c(c5ccc(cc5)N)c1[n-]2)n4)cc3)c1ccc(cc1)N)c1ccc(cc1)N