5,15-dicyclopropylporphyrin-21,22-diide; manganese(3+); ethanoate

Systemtic Name: 5,15-dicyclopropylporphyrin-21,22-diide; manganese(3+); ethanoate Openeye Name: manganic 5,15-dicyclopropylporphyrin-21,22-diide acetate CAS Name: 5,15-dicyclopropylporphyrin-21,22-diide; manganese(3+); acetate IUPAC Name: 5,15-dicyclopropylporphyrin-21,22-diide; manganese(3+); acetate Traditional Name: manganic 5,15-dicyclopropylporphine-21,22-diide acetate Formula: C28H23MnN4O2 MolecularWeight: 502.445869

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1CC1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7CC7)C=C4)[N-]3.[Mn+3]

Isomeric SMILES

CC(=O)[O-].C1CC1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2[N-]6)C=C5)C7CC7)C=C4)[N-]3.[Mn+3]

InChI

InChI=1S/C26H20N4.C2H4O2.Mn/c1-2-15(1)25-21-9-5-17(27-21)13-19-7-11-23(29-19)26(16-3-4-16)24-12-8-20(30-24)14-18-6-10-22(25)28-18;1-2(3)4;/h5-16H,1-4H2;1H3,(H,3,4);/q-2;;+3/p-1