copper; (1-oxidanyl-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-oxidanylpiperidin-4-yl)methanediol; sulfuric acid; hexahydrate

Systemtic Name: copper; (1-oxidanyl-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-oxidanylpiperidin-4-yl)methanediol; sulfuric acid; hexahydrate Openeye Name: copper; (1-hydroxy-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-hydroxy-4-piperidyl)methanediol; sulfuric acid; hexahydrate CAS Name: copper; (1-hydroxy-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-hydroxy-4-piperidinyl)methanediol; sulfuric acid; hexahydrate IUPAC Name: copper; (1-hydroxy-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-hydroxypiperidin-4-yl)methanediol; sulfuric acid; hexahydrate Traditional Name: copper; (1-hydroxy-3,6-dihydro-2H-pyridin-4-yl)methanediol; (1-hydroxy-4-piperidyl)methanediol; sulfuric acid; hexahydrate Formula: C24H64Cu4N4O22S MolecularWeight: 1047.02756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(O)O)O.C1CN(CCC1C(O)O)O.C1CN(CCC1C(O)O)O.C1CN(CC=C1C(O)O)O.O.O.O.O.O.O.OS(=O)(=O)O.[Cu].[Cu].[Cu].[Cu]

Isomeric SMILES

C1CN(CCC1C(O)O)O.C1CN(CCC1C(O)O)O.C1CN(CCC1C(O)O)O.C1CN(CC=C1C(O)O)O.O.O.O.O.O.O.OS(=O)(=O)O.[Cu].[Cu].[Cu].[Cu]

InChI

InChI=1S/3C6H13NO3.C6H11NO3.4Cu.H2O4S.6H2O/c4*8-6(9)5-1-3-7(10)4-2-5;;;;;1-5(2,3)4;;;;;;/h3*5-6,8-10H,1-4H2;1,6,8-10H,2-4H2;;;;;(H2,1,2,3,4);6*1H2