copper 2-methoxy-5,10,15,20-tetraphenyl-porphyrin-21,23-diide

Systemtic Name: copper 2-methoxy-5,10,15,20-tetraphenyl-porphyrin-21,23-diide Openeye Name: copper 2-methoxy-5,10,15,20-tetraphenyl-porphyrin-21,23-diide CAS Name: copper 2-methoxy-5,10,15,20-tetraphenylporphyrin-21,23-diide IUPAC Name: copper 2-methoxy-5,10,15,20-tetraphenylporphyrin-21,23-diide Traditional Name: cupric 2-methoxy-5,10,15,20-tetraphenyl-porphine-21,23-diide Formula: C45H30CuN4O MolecularWeight: 706.2919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C(=C1)[N-]2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

Isomeric SMILES

COC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C(=C1)[N-]2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)[N-]4)C8=CC=CC=C8)C9=CC=CC=C9.[Cu+2]

InChI

InChI=1S/C45H30N4O.Cu/c1-50-40-28-39-43(31-18-10-4-11-19-31)37-25-24-35(47-37)41(29-14-6-2-7-15-29)33-22-23-34(46-33)42(30-16-8-3-9-17-30)36-26-27-38(48-36)44(45(40)49-39)32-20-12-5-13-21-32;/h2-28H,1H3;/q-2;+2