copper; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate

Systemtic Name: copper; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate Openeye Name: copper; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate CAS Name: copper; copper; 4-piperidin-1-idylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate IUPAC Name: copper; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate Traditional Name: cupric; copper; piperidin-1-id-4-ylmethanediol; 2H-pyridin-1-ide-4-carboxylic acid; trihydrate Formula: C12H24Cu4N2O7 MolecularWeight: 562.51216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12NO2.C6H6NO2.4Cu.3H2O/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;;;;+2;;;