di(piperidin-1-id-2-yl)methanediol; ethane-1,1-diol; piperidin-1-id-2-yl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate

Systemtic Name: di(piperidin-1-id-2-yl)methanediol; ethane-1,1-diol; piperidin-1-id-2-yl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate Openeye Name: di(piperidin-1-id-2-yl)methanediol; ethane-1,1-diol; piperidin-1-id-2-yl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate CAS Name: bis(2-piperidin-1-idyl)methanediol; ethane-1,1-diol; 2-piperidin-1-idyl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate IUPAC Name: di(piperidin-1-id-2-yl)methanediol; ethane-1,1-diol; piperidin-1-id-2-yl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate Traditional Name: di(piperidin-1-id-2-yl)methanediol; ethane-1,1-diol; piperidin-1-id-2-yl(2H-pyridin-1-id-6-yl)methanediol; zinc; dihydrate Formula: C38H88N4O22Zn6-4 MolecularWeight: 1345.57292

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC[N-]C(C1)C(C2CCCC[N-]2)(O)O.C1CC[N-]C(C1)C(C2=CC=CC[N-]2)(O)O.O.O.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC[N-]C(C1)C(C2CCCC[N-]2)(O)O.C1CC[N-]C(C1)C(C2=CC=CC[N-]2)(O)O.O.O.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]

InChI

InChI=1S/C11H20N2O2.C11H16N2O2.8C2H6O2.2H2O.6Zn/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;8*1-2(3)4;;;;;;;;/h9-10,14-15H,1-8H2;1,3,5,10,14-15H,2,4,6-8H2;8*2-4H,1H3;2*1H2;;;;;;/q2*-2;;;;;;;;;;;;;;;;