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Substance Name: Bis(imidazole)(5,10,15,20-tetraphenylporphinato)iron(III) bis(1,2-dicyanoethylenedithiolato)cuprate(III) tetrakis(tetrahydrofuran)
RN: 127203-07-0
InChIKey: GLOQWJAWHNMRRK-DMFRUCFRSA-J

Molecular Formula

  • C50-H36-Fe-N8.C8-Cu-N4-S4.4C4-H8-O

Molecular Weight

  • 1439.102
 
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Names and Synonyms

Name of Substance

  • Bis(imidazole)(5,10,15,20-tetraphenylporphinato)iron(III) bis(1,2-dicyanoethylenedithiolato)cuprate(III) tetrakis(tetrahydrofuran)

Synonym

  • Imidazole-Fe(ttp)-tba-Cu

Systematic Name

  • Iron(1+), bis(1H-imidazole-N3)(5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)-, (OC-6-12)-, (SP-4-1)-bis(2,3-dimercapto-2-butenedinitrilato(2-)-S,S')cuprate(1-), compd. with tetrahydrofuran (1:4)

Registry Numbers

CAS Registry Number

  • 127203-07-0

System Generated Number

  • 0127203070

Molecular Formulas

Molecular Formula

  • C50-H36-Fe-N8.C8-Cu-N4-S4.4C4-H8-O

Molecular Formula Fragments

  • C4-H8-O
  • C50-H36-Fe-N8
  • C8-Cu-N4-S4
  • COMPONENT

Structure Descriptors

InChI

1S/C44H30N4.2C4H2N2S2.4C4H8O.2C3H4N2.Cu.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*5-1-3(7)4(8)2-6;4*1-2-4-5-3-1;2*1-2-5-3-4-1;;/h1-28,45,48H;2*7-8H;4*1-4H2;2*1-3H,(H,4,5);;/q;;;;;;;;;2*+3/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;2*4-3-;;;;;;;;

InChIKey

GLOQWJAWHNMRRK-DMFRUCFRSA-J

Smiles

c1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccccc7)/C=C5)/c8ccccc8)/cc4)/c9ccccc9)C=C3.c1[nH]cnc1.c1[nH]cnc1.C1COCC1.C1COCC1.C1COCC1.C1COCC1.C(#N)/C(=C(/[S-])\C#N)/[S-].C(#N)/C(=C(/[S-])\C#N)/[S-].[Fe+3].[Cu+3]