zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-13-[1-(4-methoxyphenyl)ethenyl]-8-[(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)-13-[1-(4-methoxyphenyl)ethenyl]-8-[(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)-13-[1-(4-methoxyphenyl)vinyl]-8-[(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)-13-[1-(4-methoxyphenyl)ethenyl]-8-[(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)-13-[1-(4-methoxyphenyl)ethenyl]-8-[(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)-13-[1-(4-methoxyphenyl)vinyl]-8-[(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(=C)C6=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/c1-28(34-13-17-36(58-7)18-14-34)50-32(5)43-25-44-37(19-12-33-10-15-35(57-6)16-11-33)29(2)40(51-44)24-41-30(3)38(20-22-48(55)59-8)45(52-41)27-46-39(21-23-49(56)60-9)31(4)42(53-46)26-47(50)54-43;/h10-19,24-27H,1,20-23H2,2-9H3;/q-2;+2/b19-12+,40-24?,41-24?,42-26?,43-25?,44-25?,45-27?,46-27?,47-26?;