ferric(III)-alpha,alpha,alpha,beta-Tetra-ortho-(N-methyl-isonicotinamidophenyl)porphyrin
[CAS# 124339-99-7]

Identification

• Name: ferric(III)-alpha,alpha,alpha,beta-Tetra-ortho-(N-methyl-isonicotinamidophenyl)porphyrin
• Synonyms: Iron(5+), ((4,4',4'',4'''-(21H,23H-Porphine-5,10,15,20-Tetrayltetrakis(2,1-Phenyleneiminocarbonyl))Tetrakis(1-Methylpyridiniumato))(2-)-N21,N22,N23,N24)-, Stereoisomer; Fe(Iii)-Alpha,Alpha,Alpha,Beta-Tetra-Ortho-(N-Methyl-Isonicotinamidophenyl)Porphyrin
• Molecular Formula: C₇₂H₅₆FeN₁₂O₄
• Molecular Weight: 1209.16
• CAS Registry Number: 124339-99-7
• SMILES: C6(=C%11C=CC(=C(C1=CC=CC=C1NC(C2=CC=[N+](C=C2)C)=O)C%10=NC(=C(C3=CC=CC=C3NC(C4=CC=[N+](C=C4)C)=O)C5=CC=C([N-]5)C(=C7N=C6C=C7)C8=CC=CC=C8NC(C9=CC=[N+](C=C9)C)=O)C=C%10)[N-]%11)C%12=CC=CC=C%12NC(C%13=CC=[N+](C=C%13)C)=O.[Fe+3]
• InChI: 1S/C72H54N12O4.Fe/c1-81-37-29-45(30-38-81)69(85)77-53-17-9-5-13-49(53)65-57-21-23-59(73-57)66(50-14-6-10-18-54(50)78-70(86)46-31-39-82(2)40-32-46)61-25-27-63(75-61)68(52-16-8-12-20-56(52)80-72(88)48-35-43-84(4)44-36-48)64-28-26-62(76-64)67(60-24-22-58(65)74-60)51-15-7-11-19-55(51)79-71(87)47-33-41-83(3)42-34-47;/h5-44H,1-4H3,(H2-3,73,74,75,76,77,78,79,80,85,86,87,88);/q;+3/p+2
• InChIKey: HTCYKZBXDRNRSG-UHFFFAOYSA-P