zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-7,12-bis[1-(4-methoxyphenyl)ethenyl]-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-7,12-bis[1-(4-methoxyphenyl)ethenyl]-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-7,12-bis[1-(4-methoxyphenyl)vinyl]-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-7,12-bis[1-(4-methoxyphenyl)ethenyl]-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-7,12-bis[1-(4-methoxyphenyl)ethenyl]-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-7,12-bis[1-(4-methoxyphenyl)vinyl]-3,8,13,17-tetramethyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C50H48N4O6Zn MolecularWeight: 866.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)C(=C)C6=CC=C(C=C6)OC)C(=C)C7=CC=C(C=C7)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)C(=C)C6=CC=C(C=C6)OC)C(=C)C7=CC=C(C=C7)OC.[Zn+2]

InChI

InChI=1S/C50H48N4O6.Zn/c1-27(33-11-15-35(57-7)16-12-33)49-31(5)41-23-39-29(3)37(19-21-47(55)59-9)43(51-39)26-44-38(20-22-48(56)60-10)30(4)40(52-44)24-45-50(32(6)42(54-45)25-46(49)53-41)28(2)34-13-17-36(58-8)18-14-34;/h11-18,23-26H,1-2,19-22H2,3-10H3;/q-2;+2