copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,23-diide

Systemtic Name: copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,23-diide Openeye Name: copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,23-diide CAS Name: copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,23-diide IUPAC Name: copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,23-diide Traditional Name: cupric 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphine-22,23-diide Formula: C52H44CuN4O8 MolecularWeight: 916.47376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C(=CC=C7)OC)OC)C8=C(C(=CC=C8)OC)OC)C9=C(C(=CC=C9)OC)OC)[N-]3.[Cu+2]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C(=CC=C7)OC)OC)C8=C(C(=CC=C8)OC)OC)C9=C(C(=CC=C9)OC)OC)[N-]3.[Cu+2]

InChI

InChI=1S/C52H44N4O8.Cu/c1-57-41-17-9-13-29(49(41)61-5)45-33-21-23-35(53-33)46(30-14-10-18-42(58-2)50(30)62-6)37-25-27-39(55-37)48(32-16-12-20-44(60-4)52(32)64-8)40-28-26-38(56-40)47(36-24-22-34(45)54-36)31-15-11-19-43(59-3)51(31)63-7;/h9-28H,1-8H3;/q-2;+2