zinc methyl 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-porphyrin-22,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-porphyrin-22,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-porphyrin-22,23-diid-2-yl]propanoate CAS Name: zinc 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-2-porphyrin-22,23-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethylporphyrin-22,23-diid-2-yl]propanoate Traditional Name: zinc 3-[10-(2,5-dimethoxyphenyl)-7,13-diethyl-18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-porphine-22,23-diid-2-yl]propionic acid methyl ester Formula: C44H48N4O6Zn MolecularWeight: 794.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)CC)C)C6=C(C=CC(=C6)OC)OC)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)CC)C)C6=C(C=CC(=C6)OC)OC)C.[Zn+2]

InChI

InChI=1S/C44H48N4O6.Zn/c1-11-28-25(5)43-42(32-19-27(51-7)13-16-39(32)52-8)44-26(6)29(12-2)36(48-44)21-34-24(4)31(15-18-41(50)54-10)38(46-34)22-37-30(14-17-40(49)53-9)23(3)33(45-37)20-35(28)47-43;/h13,16,19-22H,11-12,14-15,17-18H2,1-10H3;/q-2;+2