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

Systemtic Name: zinc 2-[15-[1,4-bis(oxidanylidene)-3-propan-2-yloxy-naphthalen-2-yl]-10,20-diphenyl-porphyrin-22,24-diid-5-yl]-3-propan-2-yloxy-naphthalene-1,4-dione Openeye Name: zinc 2-isopropoxy-3-[15-(3-isopropoxy-1,4-dioxo-2-naphthyl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]naphthalene-1,4-dione CAS Name: zinc 2-[15-(1,4-dioxo-3-propan-2-yloxy-2-naphthalenyl)-10,20-diphenyl-5-porphyrin-22,24-diidyl]-3-propan-2-yloxynaphthalene-1,4-dione IUPAC Name: zinc 2-[15-(1,4-dioxo-3-propan-2-yloxynaphthalen-2-yl)-10,20-diphenylporphyrin-22,24-diid-5-yl]-3-propan-2-yloxynaphthalene-1,4-dione Traditional Name: zinc 2-isopropoxy-3-[15-(3-isopropoxy-1,4-diketo-2-naphthyl)-10,20-diphenyl-porphine-22,24-diid-5-yl]-1,4-naphthoquinone Formula: C58H40N4O6Zn MolecularWeight: 954.3704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=C(C(=O)C1=CC=CC=C1C9=O)OC(C)C)C=C5)C1=CC=CC=C1)[N-]4.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C([N-]6)C(=C7C=CC3=N7)C8=CC=CC=C8)C9=C(C(=O)C1=CC=CC=C1C9=O)OC(C)C)C=C5)C1=CC=CC=C1)[N-]4.[Zn+2]

InChI

InChI=1S/C58H42N4O6.Zn/c1-31(2)67-57-51(53(63)35-19-11-13-21-37(35)55(57)65)49-43-27-23-39(59-43)47(33-15-7-5-8-16-33)41-25-29-45(61-41)50(52-54(64)36-20-12-14-22-38(36)56(66)58(52)68-32(3)4)46-30-26-42(62-46)48(34-17-9-6-10-18-34)40-24-28-44(49)60-40;/h5-32H,1-4H3,(H2,59,60,61,62,63,64,65,66);/q;+2/p-2