cobalt(2+); [(Z)-octylideneamino]-pyridin-4-ylcarbonyl-azanide; ethanoate; tetrahydrate

Systemtic Name: cobalt(2+); [(Z)-octylideneamino]-pyridin-4-ylcarbonyl-azanide; ethanoate; tetrahydrate Openeye Name: cobaltous [(Z)-octylideneamino]-(pyridine-4-carbonyl)azanide acetate tetrahydrate CAS Name: cobalt(2+); [(Z)-octylideneamino]-[oxo(pyridin-4-yl)methyl]azanide; acetate; tetrahydrate IUPAC Name: cobalt(2+); [(Z)-octylideneamino]-(pyridine-4-carbonyl)azanide; acetate; tetrahydrate Traditional Name: cobaltous isonicotinoyl-[(Z)-octylideneamino]azanide acetate tetrahydrate Formula: C16H31CoN3O7 MolecularWeight: 436.36644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=N[N-]C(=O)C1=CC=NC=C1.CC(=O)[O-].O.O.O.O.[Co+2]

Isomeric SMILES

CCCCCCC/C=N\[N-]C(=O)C1=CC=NC=C1.CC(=O)[O-].O.O.O.O.[Co+2]

InChI

InChI=1S/C14H21N3O.C2H4O2.Co.4H2O/c1-2-3-4-5-6-7-10-16-17-14(18)13-8-11-15-12-9-13;1-2(3)4;;;;;/h8-12H,2-7H2,1H3,(H,17,18);1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2/b16-10-;;;;;;