zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-12-[(E)-2-phenylethenyl]porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-12-[(E)-2-phenylethenyl]porphyrin-21,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-[(E)-styryl]porphyrin-21,23-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-12-[(E)-2-phenylethenyl]-2-porphyrin-21,23-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-12-[(E)-2-phenylethenyl]porphyrin-21,23-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-[(E)-styryl]porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C40H38N4O4Zn MolecularWeight: 704.16312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)[N-]5)C=CC6=CC=CC=C6)C)C)CCC(=O)OC)CCC(=O)OC)C.[Zn+2]

Isomeric SMILES

CC1=CC2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)[N-]5)/C=C/C6=CC=CC=C6)C)C)CCC(=O)OC)CCC(=O)OC)C.[Zn+2]

InChI

InChI=1S/C40H38N4O4.Zn/c1-23-18-28-19-33-24(2)30(14-16-39(45)47-5)37(42-33)22-38-31(15-17-40(46)48-6)26(4)35(44-38)21-34-25(3)29(36(43-34)20-32(23)41-28)13-12-27-10-8-7-9-11-27;/h7-13,18-22H,14-17H2,1-6H3;/q-2;+2/b13-12+,28-19?,32-20?,33-19?,34-21?,35-21?,36-20?,37-22?,38-22?;