zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-oxidanyl-3-propan-2-yloxy-cyclobut-2-en-1-one

Systemtic Name: zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-oxidanyl-3-propan-2-yloxy-cyclobut-2-en-1-one Openeye Name: zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-hydroxy-3-isopropoxy-cyclobut-2-en-1-one CAS Name: zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-4-hydroxy-3-propan-2-yloxy-1-cyclobut-2-enone IUPAC Name: zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-hydroxy-3-propan-2-yloxycyclobut-2-en-1-one Traditional Name: zinc 4-(2,5-dimethoxyphenyl)-2-(10,20-diphenylporphine-22,24-diid-5-yl)-4-hydroxy-3-isopropoxy-cyclobut-2-en-1-one Formula: C47H36N4O5Zn MolecularWeight: 802.22154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1(C2=C(C=CC(=C2)OC)OC)O)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)C1(C2=C(C=CC(=C2)OC)OC)O)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/c1-27(2)56-46-44(45(52)47(46,53)33-26-32(54-3)17-24-40(33)55-4)43-38-22-20-36(50-38)41(28-11-7-5-8-12-28)34-18-15-30(48-34)25-31-16-19-35(49-31)42(29-13-9-6-10-14-29)37-21-23-39(43)51-37;/h5-27,53H,1-4H3;/q-2;+2