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

Systemtic Name: zinc 2-[15-(4-methoxyphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]-3-propan-2-yloxy-naphthalene-1,4-dione Openeye Name: zinc 2-isopropoxy-3-[15-(4-methoxyphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]naphthalene-1,4-dione CAS Name: zinc 2-[15-(4-methoxyphenyl)-10,20-diphenyl-5-porphyrin-22,24-diidyl]-3-propan-2-yloxynaphthalene-1,4-dione IUPAC Name: zinc 2-[15-(4-methoxyphenyl)-10,20-diphenylporphyrin-22,24-diid-5-yl]-3-propan-2-yloxynaphthalene-1,4-dione Traditional Name: zinc 2-isopropoxy-3-[15-(4-methoxyphenyl)-10,20-diphenyl-porphine-22,24-diid-5-yl]-1,4-naphthoquinone Formula: C52H36N4O4Zn MolecularWeight: 846.27564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=C(C=C9)OC)[N-]5)C1=CC=CC=C1.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)C9=CC=C(C=C9)OC)[N-]5)C1=CC=CC=C1.[Zn+2]

InChI

InChI=1S/C52H38N4O4.Zn/c1-30(2)60-52-49(50(57)35-16-10-11-17-36(35)51(52)58)48-43-28-26-39(55-43)45(31-12-6-4-7-13-31)37-22-24-41(53-37)47(33-18-20-34(59-3)21-19-33)42-25-23-38(54-42)46(32-14-8-5-9-15-32)40-27-29-44(48)56-40;/h4-30H,1-3H3,(H2,53,54,55,56,57,58);/q;+2/p-2