copper methyl 3-[12-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: copper methyl 3-[12-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: copper methyl 3-[12-[(E)-1-chloro-3-oxo-prop-1-enyl]-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: copper 3-[12-[(E)-1-chloro-3-oxoprop-1-enyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid methyl ester IUPAC Name: copper methyl 3-[12-[(E)-1-chloro-3-oxoprop-1-enyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: cupric 3-[12-[(E)-1-chloro-3-keto-prop-1-enyl]-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C35H33ClCuN4O5 MolecularWeight: 688.65932

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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(=CC=O)Cl)C)C)CCC(=O)OC)CCC(=O)OC)C.[Cu+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\C=O)/Cl)C)C)CCC(=O)OC)CCC(=O)OC)C.[Cu+2]

InChI

InChI=1S/C35H34ClN4O5.Cu/c1-18-13-22-14-27-19(2)23(7-9-33(42)44-5)30(38-27)17-31-24(8-10-34(43)45-6)20(3)28(39-31)16-29-21(4)35(25(36)11-12-41)32(40-29)15-26(18)37-22;/h11-17H,7-10H2,1-6H3,(H-,37,38,39,40,41);/q-1;+2/p-1