cobalt(2+); (1Z)-1-[7-ethanoyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-porphyrin-23-id-2-ylidene]ethanolate

Systemtic Name: cobalt(2+); (1Z)-1-[7-ethanoyl-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-porphyrin-23-id-2-ylidene]ethanolate Openeye Name: cobaltous (1Z)-1-[7-acetyl-13,17-bis(3-methoxy-3-oxo-propyl)-3,8,12,18-tetramethyl-porphyrin-23-id-2-ylidene]ethanolate CAS Name: (1Z)-1-[7-acetyl-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-2-porphyrin-23-idylidene]ethanolate; cobalt(2+) IUPAC Name: (1Z)-1-[7-acetyl-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-23-id-2-ylidene]ethanolate; cobalt(2+) Traditional Name: cobaltous (1Z)-1-[7-acetyl-13,17-bis(3-keto-3-methoxy-propyl)-3,8,12,18-tetramethyl-porphin-23-id-2-ylidene]ethanolate Formula: C36H36CoN4O6 MolecularWeight: 679.62744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=C(C4=C(C)[O-])C)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(=O)C)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Co+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC\4=NC(=C(/C4=C(\C)/[O-])C)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(=O)C)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Co+2]

InChI

InChI=1S/C36H38N4O6.Co/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)14-31-36(22(6)42)20(4)28(40-31)15-32-35(21(5)41)19(3)27(39-32)13-25(17)37-29;/h13-16H,9-12H2,1-8H3,(H2,37,38,39,40,41,42);/q;+2/p-2