copper 5,10,15,20-tetrakis(3-methoxyphenyl)porphyrin-22,24-diide-2-carbaldehyde

Systemtic Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)porphyrin-22,24-diide-2-carbaldehyde Openeye Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)porphyrin-22,24-diide-2-carbaldehyde CAS Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)-2-porphyrin-22,24-diidecarboxaldehyde IUPAC Name: copper 5,10,15,20-tetrakis(3-methoxyphenyl)porphyrin-22,24-diide-2-carbaldehyde Traditional Name: cupric 5,10,15,20-tetrakis(3-methoxyphenyl)porphine-22,24-diide-2-carbaldehyde Formula: C49H36CuN4O5 MolecularWeight: 824.37994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C(=C4)C=O)C9=CC(=CC=C9)OC)[N-]3.[Cu+2]

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC(=CC=C7)OC)C8=CC(=CC=C8)OC)C(=C4)C=O)C9=CC(=CC=C9)OC)[N-]3.[Cu+2]

InChI

InChI=1S/C49H37N4O5.Cu/c1-55-34-13-5-9-29(23-34)45-38-17-18-39(50-38)46(30-10-6-14-35(24-30)56-2)41-21-22-43(52-41)48(32-12-8-16-37(26-32)58-4)49-33(28-54)27-44(53-49)47(42-20-19-40(45)51-42)31-11-7-15-36(25-31)57-3;/h5-28H,1-4H3,(H-,50,51,52,53,54);/q-1;+2/p-1