copper ethyl 3-[18-(3-ethoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: copper ethyl 3-[18-(3-ethoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: copper ethyl 3-[18-(3-ethoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: copper 3-[18-(3-ethoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid ethyl ester IUPAC Name: copper ethyl 3-[18-(3-ethoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: cupric 3-[18-(3-ethoxy-3-keto-propyl)-3,8,13,17-tetramethyl-porphine-21,23-diid-2-yl]propionic acid ethyl ester Formula: C34H36CuN4O4 MolecularWeight: 628.22004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C2C=C3C(=C(C(=N3)C=C4C(=CC(=CC5=NC(=CC(=C1C)[N-]2)C=C5C)[N-]4)C)C)CCC(=O)OCC.[Cu+2]

Isomeric SMILES

CCOC(=O)CCC1=C2C=C3C(=C(C(=N3)C=C4C(=CC(=CC5=NC(=CC(=C1C)[N-]2)C=C5C)[N-]4)C)C)CCC(=O)OCC.[Cu+2]

InChI

InChI=1S/C34H36N4O4.Cu/c1-7-41-33(39)11-9-25-21(5)29-16-24-13-19(3)27(35-24)15-23-14-20(4)28(36-23)17-30-22(6)26(10-12-34(40)42-8-2)32(38-30)18-31(25)37-29;/h13-18H,7-12H2,1-6H3;/q-2;+2