zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-methoxy-8-methyl-2-propan-2-yloxy-naphthalen-1-yl] ethanoate

Systemtic Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-methoxy-8-methyl-2-propan-2-yloxy-naphthalen-1-yl] ethanoate Openeye Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-2-isopropoxy-4-methoxy-8-methyl-1-naphthyl] acetate CAS Name: zinc acetic acid [3-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-4-methoxy-8-methyl-2-propan-2-yloxy-1-naphthalenyl] ester IUPAC Name: zinc [3-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-methoxy-8-methyl-2-propan-2-yloxynaphthalen-1-yl] acetate Traditional Name: zinc acetic acid [3-(10,20-diphenylporphine-22,24-diid-5-yl)-2-isopropoxy-4-methoxy-8-methyl-1-naphthyl] ester Formula: C49H38N4O4Zn MolecularWeight: 812.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=C(C(=C2OC)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=CC2=C1C(=C(C(=C2OC)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/C49H38N4O4.Zn/c1-28(2)56-49-46(47(55-5)35-18-12-13-29(3)42(35)48(49)57-30(4)54)45-40-25-23-38(52-40)43(31-14-8-6-9-15-31)36-21-19-33(50-36)27-34-20-22-37(51-34)44(32-16-10-7-11-17-32)39-24-26-41(45)53-39;/h6-28H,1-5H3;/q-2;+2