cobalt(2+); (E)-2-ethoxycarbonyl-3-oxidanylidene-1-phenylazanyl-but-1-ene-1-thiolate

Systemtic Name: cobalt(2+); (E)-2-ethoxycarbonyl-3-oxidanylidene-1-phenylazanyl-but-1-ene-1-thiolate Openeye Name: cobaltous (E)-1-anilino-2-ethoxycarbonyl-3-oxo-but-1-ene-1-thiolate CAS Name: (E)-1-anilino-2-ethoxycarbonyl-3-oxo-1-butene-1-thiolate; cobalt(2+) IUPAC Name: (E)-1-anilino-2-ethoxycarbonyl-3-oxobut-1-ene-1-thiolate; cobalt(2+) Traditional Name: cobaltous (E)-1-anilino-2-carbethoxy-3-keto-but-1-ene-1-thiolate Formula: C26H28CoN2O6S2 MolecularWeight: 587.57352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC=C1)[S-])C(=O)C.CCOC(=O)C(=C(NC1=CC=CC=C1)[S-])C(=O)C.[Co+2]

Isomeric SMILES

CCOC(=O)/C(=C(/[S-])\NC1=CC=CC=C1)/C(=O)C.CCOC(=O)/C(=C(/[S-])\NC1=CC=CC=C1)/C(=O)C.[Co+2]

InChI

InChI=1S/2C13H15NO3S.Co/c2*1-3-17-13(16)11(9(2)15)12(18)14-10-7-5-4-6-8-10;/h2*4-8,14,18H,3H2,1-2H3;/q;;+2/p-2/b2*12-11+;