copper; azanide; copper; copper(1+); piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate

Systemtic Name: copper; azanide; copper; copper(1+); piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate Openeye Name: copper; cuprous; azanide; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate CAS Name: copper; azanide; copper; copper(1+); 4-piperidin-1-idylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate IUPAC Name: copper; azanide; copper; copper(1+); piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate Traditional Name: cupric; cuprous; azanide; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; dihydrate Formula: C12H24Cu4N3O6 MolecularWeight: 560.51946

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CCC1C(O)O.C1C=C(C=C[N-]1)C(=O)O.[NH2-].O.O.[Cu].[Cu].[Cu+].[Cu+2]

Isomeric SMILES

C1C[N-]CCC1C(O)O.C1C=C(C=C[N-]1)C(=O)O.[NH2-].O.O.[Cu].[Cu].[Cu+].[Cu+2]

InChI

InChI=1S/C6H12NO2.C6H6NO2.4Cu.H2N.2H2O/c2*8-6(9)5-1-3-7-4-2-5;;;;;;;/h5-6,8-9H,1-4H2;1-3H,4H2,(H,8,9);;;;;3*1H2/q2*-1;;;+1;+2;-1;;