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

Systemtic Name: 5,15-dimethylporphyrin-21,22-diide; manganese(3+); ethanoate Openeye Name: manganic 5,15-dimethylporphyrin-21,22-diide acetate CAS Name: 5,15-dimethylporphyrin-21,22-diide; manganese(3+); acetate IUPAC Name: 5,15-dimethylporphyrin-21,22-diide; manganese(3+); acetate Traditional Name: manganic 5,15-dimethylporphine-21,22-diide acetate Formula: C24H19MnN4O2 MolecularWeight: 450.371309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1[N-]5)C=C4)C)C=C3)[N-]2.CC(=O)[O-].[Mn+3]

Isomeric SMILES

CC1=C2C=CC(=CC3=NC(=C(C4=NC(=CC5=CC=C1[N-]5)C=C4)C)C=C3)[N-]2.CC(=O)[O-].[Mn+3]

InChI

InChI=1S/C22H16N4.C2H4O2.Mn/c1-13-19-7-3-15(23-19)11-17-5-9-21(25-17)14(2)22-10-6-18(26-22)12-16-4-8-20(13)24-16;1-2(3)4;/h3-12H,1-2H3;1H3,(H,3,4);/q-2;;+3/p-1