3-chloranylpiperidin-1-ide; 5-chloranyl-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate

Systemtic Name: 3-chloranylpiperidin-1-ide; 5-chloranyl-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate Openeye Name: 3-chloropiperidin-1-ide; 5-chloro-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate CAS Name: 3-chloropiperidin-1-ide; 5-chloro-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate IUPAC Name: 3-chloropiperidin-1-ide; 5-chloro-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate Traditional Name: 3-chloropiperidin-1-ide; 5-chloro-2H-pyridin-1-ide; ethane-1,1-diol; manganese; hydrate Formula: C27H61Cl3Mn3N3O13-3 MolecularWeight: 906.958687

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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.C1CC(C[N-]C1)Cl.C1CC(C[N-]C1)Cl.C1C=CC(=C[N-]1)Cl.O.[Mn].[Mn].[Mn]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC(C[N-]C1)Cl.C1CC(C[N-]C1)Cl.C1C=CC(=C[N-]1)Cl.O.[Mn].[Mn].[Mn]

InChI

InChI=1S/2C5H9ClN.C5H5ClN.6C2H6O2.3Mn.H2O/c3*6-5-2-1-3-7-4-5;6*1-2(3)4;;;;/h2*5H,1-4H2;1-2,4H,3H2;6*2-4H,1H3;;;;1H2/q3*-1;;;;;;;;;;