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

Systemtic Name: zinc 3-[15-(4-methoxyphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: zinc 3-isopropoxy-4-[15-(4-methoxyphenyl)-10,20-diphenyl-porphyrin-22,24-diid-5-yl]cyclobut-3-ene-1,2-dione CAS Name: zinc 3-[15-(4-methoxyphenyl)-10,20-diphenyl-5-porphyrin-22,24-diidyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: zinc 3-[15-(4-methoxyphenyl)-10,20-diphenylporphyrin-22,24-diid-5-yl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: zinc 3-isopropoxy-4-[15-(4-methoxyphenyl)-10,20-diphenyl-porphine-22,24-diid-5-yl]cyclobut-3-ene-1,2-quinone Formula: C46H32N4O4Zn MolecularWeight: 770.17968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)OC)[N-]4)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)OC)[N-]4)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C46H34N4O4.Zn/c1-26(2)54-46-43(44(51)45(46)52)42-37-24-22-33(49-37)39(27-10-6-4-7-11-27)31-18-20-35(47-31)41(29-14-16-30(53-3)17-15-29)36-21-19-32(48-36)40(28-12-8-5-9-13-28)34-23-25-38(42)50-34;/h4-26H,1-3H3,(H2,47,48,49,50,51,52);/q;+2/p-2