zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-8,13-bis[(E)-2-(4-methoxyphenyl)ethenyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-8,13-bis[(E)-2-(4-methoxyphenyl)ethenyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-8,13-bis[(E)-2-(4-methoxyphenyl)vinyl]-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-8,13-bis[(E)-2-(4-methoxyphenyl)ethenyl]-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-8,13-bis[(E)-2-(4-methoxyphenyl)ethenyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-8,13-bis[(E)-2-(4-methoxyphenyl)vinyl]-3,7,12,17-tetramethyl-porphine-21,24-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=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=CC6=CC=C(C=C6)OC)C)C=CC7=CC=C(C=C7)OC)C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)/C=C/C6=CC=C(C=C6)OC)C)/C=C/C7=CC=C(C=C7)OC)C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C50H48N4O6.Zn/c1-29-37(19-13-33-9-15-35(57-5)16-10-33)45-26-43-30(2)38(20-14-34-11-17-36(58-6)18-12-34)46(53-43)27-44-32(4)40(22-24-50(56)60-8)48(54-44)28-47-39(21-23-49(55)59-7)31(3)42(52-47)25-41(29)51-45;/h9-20,25-28H,21-24H2,1-8H3;/q-2;+2/b19-13+,20-14+,41-25?,42-25?,43-26?,44-27?,45-26?,46-27?,47-28?,48-28?;