zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,8-dimethoxy-3-propan-2-yloxy-naphthalene-1,4-dione

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,8-dimethoxy-3-propan-2-yloxy-naphthalene-1,4-dione Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-isopropoxy-5,8-dimethoxy-naphthalene-1,4-dione CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-5,8-dimethoxy-3-propan-2-yloxynaphthalene-1,4-dione IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-5,8-dimethoxy-3-propan-2-yloxynaphthalene-1,4-dione Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-3-isopropoxy-5,8-dimethoxy-1,4-naphthoquinone Formula: C47H34N4O5Zn MolecularWeight: 800.20566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=C(C=CC(=C2C1=O)OC)OC)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)[N-]5)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=C(C=CC(=C2C1=O)OC)OC)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)[N-]5)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C47H36N4O5.Zn/c1-26(2)56-47-44(45(52)42-37(54-3)23-24-38(55-4)43(42)46(47)53)41-35-21-19-33(50-35)39(27-11-7-5-8-12-27)31-17-15-29(48-31)25-30-16-18-32(49-30)40(28-13-9-6-10-14-28)34-20-22-36(41)51-34;/h5-26H,1-4H3,(H2,48,49,50,51,52,53);/q;+2/p-2