[5-[bis(oxidanyl)methyl]-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; cadmium; pentahydrate

Systemtic Name: [5-[bis(oxidanyl)methyl]-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; cadmium; pentahydrate Openeye Name: cadmium; [5-(dihydroxymethyl)-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; pentahydrate CAS Name: cadmium; [5-(dihydroxymethyl)-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; pentahydrate IUPAC Name: cadmium; [5-(dihydroxymethyl)-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; pentahydrate Traditional Name: cadmium; [5-(dihydroxymethyl)-3,6-dihydro-2H-pyridin-1-id-4-yl]methanediol; pentahydrate Formula: C7H22Cd5NO9- MolecularWeight: 826.30588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N-]CC(=C1C(O)O)C(O)O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd]

Isomeric SMILES

C1C[N-]CC(=C1C(O)O)C(O)O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd]

InChI

InChI=1S/C7H12NO4.5Cd.5H2O/c9-6(10)4-1-2-8-3-5(4)7(11)12;;;;;;;;;;/h6-7,9-12H,1-3H2;;;;;;5*1H2/q-1;;;;;;;;;;