zinc 2-[15-[1,4-bis(oxidanylidene)-3-propan-2-yloxy-phenanthren-2-yl]-10,20-diphenyl-porphyrin-22,24-diid-5-yl]-3-propan-2-yloxy-phenanthrene-1,4-dione

Systemtic Name: zinc 2-[15-[1,4-bis(oxidanylidene)-3-propan-2-yloxy-phenanthren-2-yl]-10,20-diphenyl-porphyrin-22,24-diid-5-yl]-3-propan-2-yloxy-phenanthrene-1,4-dione Openeye Name: zinc 3-isopropoxy-2-[15-(3-isopropoxy-1,4-dioxo-2-phenanthryl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]phenanthrene-1,4-dione CAS Name: zinc 2-[15-(1,4-dioxo-3-propan-2-yloxy-2-phenanthrenyl)-10,20-diphenyl-5-porphyrin-22,24-diidyl]-3-propan-2-yloxyphenanthrene-1,4-dione IUPAC Name: zinc 2-[15-(1,4-dioxo-3-propan-2-yloxyphenanthren-2-yl)-10,20-diphenylporphyrin-22,24-diid-5-yl]-3-propan-2-yloxyphenanthrene-1,4-dione Traditional Name: zinc 3-isopropoxy-2-[15-(3-isopropoxy-1,4-diketo-2-phenanthryl)-10,20-diphenyl-porphine-22,24-diid-5-yl]phenanthrene-1,4-quinone Formula: C66H44N4O6Zn MolecularWeight: 1054.48776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C([N-]7)C(=C8C=CC4=N8)C9=CC=CC=C9)C1=C(C(=O)C2=C(C1=O)C=CC1=CC=CC=C12)OC(C)C)C=C6)C1=CC=CC=C1)[N-]5.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C([N-]7)C(=C8C=CC4=N8)C9=CC=CC=C9)C1=C(C(=O)C2=C(C1=O)C=CC1=CC=CC=C12)OC(C)C)C=C6)C1=CC=CC=C1)[N-]5.[Zn+2]

InChI

InChI=1S/C66H46N4O6.Zn/c1-35(2)75-65-59(61(71)43-25-23-37-15-11-13-21-41(37)55(43)63(65)73)57-49-31-27-45(67-49)53(39-17-7-5-8-18-39)47-29-33-51(69-47)58(52-34-30-48(70-52)54(40-19-9-6-10-20-40)46-28-32-50(57)68-46)60-62(72)44-26-24-38-16-12-14-22-42(38)56(44)64(74)66(60)76-36(3)4;/h5-36H,1-4H3,(H2,67,68,69,70,71,72,73,74);/q;+2/p-2