cobalt(2+); methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: cobalt(2+); methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: cobaltous methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: cobalt(2+); 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: cobalt(2+); methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: cobaltous 3-[8,13-diethyl-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C36H40CoN4O4 MolecularWeight: 651.6604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)OC)CCC(=O)OC)C)C.[Co+2]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CC)[N-]4)C)CCC(=O)OC)CCC(=O)OC)C)C.[Co+2]

InChI

InChI=1S/C36H40N4O4.Co/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;/h15-18H,9-14H2,1-8H3;/q-2;+2