oxidanylidenemanganese; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphyrin-22,24-diide

Systemtic Name: oxidanylidenemanganese; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphyrin-22,24-diide Openeye Name: oxomanganese; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphyrin-22,24-diide CAS Name: oxomanganese; 5,10,15,20-tetrakis(1-methyl-2-pyridin-1-iumyl)porphyrin-22,24-diide IUPAC Name: oxomanganese; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphyrin-22,24-diide Traditional Name: ketomanganese; 5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)porphine-22,24-diide Formula: C44H36MnN8O+2 MolecularWeight: 747.747689

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=[N+]9C)[N-]3.O=[Mn]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=[N+]9C)[N-]3.O=[Mn]

InChI

InChI=1S/C44H36N8.Mn.O/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3;;/h5-28H,1-4H3;;/q+2;;