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

Systemtic Name: zinc methyl 3-[8-[(E)-2-(4-ethenylphenyl)ethenyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8-[(E)-2-(4-vinylphenyl)vinyl]porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[8-[(E)-2-(4-ethenylphenyl)ethenyl]-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[8-[(E)-2-(4-ethenylphenyl)ethenyl]-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-8-[(E)-2-(4-vinylphenyl)vinyl]porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C42H40N4O4Zn MolecularWeight: 730.2004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C=CC6=CC=C(C=C6)C=C)C.[Zn+2]

Isomeric SMILES

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3/C=C/C6=CC=C(C=C6)C=C)C.[Zn+2]

InChI

InChI=1S/C42H40N4O4.Zn/c1-8-28-9-11-29(12-10-28)13-14-31-26(4)36-22-37-27(5)33(16-18-42(48)50-7)40(46-37)23-39-32(15-17-41(47)49-6)25(3)35(44-39)20-30-19-24(2)34(43-30)21-38(31)45-36;/h8-14,19-23H,1,15-18H2,2-7H3;/q-2;+2/b14-13+,30-20?,34-21?,35-20?,36-22?,37-22?,38-21?,39-23?,40-23?;