benzo[a]anthracen-1-yl ethanoate; 21,22-dihydroporphyrin; manganese(3+)

Systemtic Name: benzo[a]anthracen-1-yl ethanoate; 21,22-dihydroporphyrin; manganese(3+) Openeye Name: manganic; benzo[a]anthracen-1-yl acetate; 21,22-dihydroporphyrin CAS Name: acetic acid 1-benzo[a]anthracenyl ester; 21,22-dihydroporphyrin; manganese(3+) IUPAC Name: benzo[a]anthracen-1-yl acetate; 21,22-dihydroporphyrin; manganese(3+) Traditional Name: manganic; acetic acid benz[a]anthracen-1-yl ester; 21,22-dihydroporphine Formula: C40H28MnN4O2+3 MolecularWeight: 651.613969

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Mn+3]

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Mn+3]

InChI

InChI=1S/C20H14N4.C20H14O2.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-13(21)22-19-8-4-7-14-9-10-17-11-15-5-2-3-6-16(15)12-18(17)20(14)19;/h1-12,21-22H;2-12H,1H3;/q;;+3