[5-[bis(oxidanyl)methyl]-2H-pyridin-1-id-3-yl]methanediol; cadmium; hexahydrate

Systemtic Name: [5-[bis(oxidanyl)methyl]-2H-pyridin-1-id-3-yl]methanediol; cadmium; hexahydrate Openeye Name: cadmium; [5-(dihydroxymethyl)-2H-pyridin-1-id-3-yl]methanediol; hexahydrate CAS Name: cadmium; [5-(dihydroxymethyl)-2H-pyridin-1-id-3-yl]methanediol; hexahydrate IUPAC Name: cadmium; [5-(dihydroxymethyl)-2H-pyridin-1-id-3-yl]methanediol; hexahydrate Traditional Name: cadmium; [5-(dihydroxymethyl)-2H-pyridin-1-id-3-yl]methanediol; hexahydrate Formula: C7H22Cd3NO10- MolecularWeight: 617.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=C[N-]1)C(O)O)C(O)O.O.O.O.O.O.O.[Cd].[Cd].[Cd]

Isomeric SMILES

C1C(=CC(=C[N-]1)C(O)O)C(O)O.O.O.O.O.O.O.[Cd].[Cd].[Cd]

InChI

InChI=1S/C7H10NO4.3Cd.6H2O/c9-6(10)4-1-5(7(11)12)3-8-2-4;;;;;;;;;/h1-2,6-7,9-12H,3H2;;;;6*1H2/q-1;;;;;;;;;