zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-1-(2-methylphenyl)-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-1-(2-methylphenyl)-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl] ethanoate Openeye Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-2-isopropoxy-1-(o-tolyl)-4-oxo-cyclobut-2-en-1-yl] acetate CAS Name: zinc acetic acid [3-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-1-(2-methylphenyl)-4-oxo-2-propan-2-yloxy-1-cyclobut-2-enyl] ester IUPAC Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-1-(2-methylphenyl)-4-oxo-2-propan-2-yloxycyclobut-2-en-1-yl] acetate Traditional Name: zinc acetic acid [3-(10,20-diphenylporphine-22,24-diid-5-yl)-2-isopropoxy-4-keto-1-(o-tolyl)cyclobut-2-en-1-yl] ester Formula: C48H36N4O4Zn MolecularWeight: 798.23284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C(=C(C2=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)OC(C)C)OC(=O)C.[Zn+2]

Isomeric SMILES

CC1=CC=CC=C1C2(C(=C(C2=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)OC(C)C)OC(=O)C.[Zn+2]

InChI

InChI=1S/C48H36N4O4.Zn/c1-28(2)55-47-45(46(54)48(47,56-30(4)53)35-18-12-11-13-29(35)3)44-40-25-23-38(51-40)42(31-14-7-5-8-15-31)36-21-19-33(49-36)27-34-20-22-37(50-34)43(32-16-9-6-10-17-32)39-24-26-41(44)52-39;/h5-28H,1-4H3;/q-2;+2