[3-[3-[bis(oxidanyl)methyl]cyclohexyl]cyclohexyl]methanediol; cadmium; 4-(2-piperidin-1-id-4-ylethenyl)-2H-pyridin-1-ide; hexahydrate

Systemtic Name: [3-[3-[bis(oxidanyl)methyl]cyclohexyl]cyclohexyl]methanediol; cadmium; 4-(2-piperidin-1-id-4-ylethenyl)-2H-pyridin-1-ide; hexahydrate Openeye Name: cadmium; [3-[3-(dihydroxymethyl)cyclohexyl]cyclohexyl]methanediol; 4-(2-piperidin-1-id-4-ylvinyl)-2H-pyridin-1-ide; hexahydrate CAS Name: cadmium; [3-[3-(dihydroxymethyl)cyclohexyl]cyclohexyl]methanediol; 4-[2-(4-piperidin-1-idyl)ethenyl]-2H-pyridin-1-ide; hexahydrate IUPAC Name: cadmium; [3-[3-(dihydroxymethyl)cyclohexyl]cyclohexyl]methanediol; 4-(2-piperidin-1-id-4-ylethenyl)-2H-pyridin-1-ide; hexahydrate Traditional Name: cadmium; [3-[3-(dihydroxymethyl)cyclohexyl]cyclohexyl]methanediol; 4-(2-piperidin-1-id-4-ylvinyl)-2H-pyridin-1-ide; hexahydrate Formula: C40H80Cd7N2O14-2 MolecularWeight: 1599.9452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(O)O)C2CCCC(C2)C(O)O.C1CC(CC(C1)C(O)O)C2CCCC(C2)C(O)O.C1C[N-]CCC1C=CC2=CC[N-]C=C2.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd]

Isomeric SMILES

C1CC(CC(C1)C(O)O)C2CCCC(C2)C(O)O.C1CC(CC(C1)C(O)O)C2CCCC(C2)C(O)O.C1C[N-]CCC1C=CC2=CC[N-]C=C2.O.O.O.O.O.O.[Cd].[Cd].[Cd].[Cd].[Cd].[Cd].[Cd]

InChI

InChI=1S/2C14H26O4.C12H16N2.7Cd.6H2O/c2*15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18;1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;;;;;;;;;;;;;/h2*9-18H,1-8H2;1-4,7,12H,5-6,8-10H2;;;;;;;;6*1H2/q;;-2;;;;;;;;;;;;;