bis(oxidanyl)-oxidanylidene-azanium; cerium; ethane-1,1-diol; manganese; 6-methylpyridin-1-ium-2-olate; hexahydrate

Systemtic Name: bis(oxidanyl)-oxidanylidene-azanium; cerium; ethane-1,1-diol; manganese; 6-methylpyridin-1-ium-2-olate; hexahydrate Openeye Name: cerium; dihydroxy(oxo)ammonium; ethane-1,1-diol; manganese; 6-methylpyridin-1-ium-2-olate; hexahydrate CAS Name: cerium; dihydroxy(oxo)ammonium; ethane-1,1-diol; manganese; 6-methyl-2-pyridin-1-iumolate; hexahydrate IUPAC Name: cerium; dihydroxy(oxo)azanium; ethane-1,1-diol; manganese; 6-methylpyridin-1-ium-2-olate; hexahydrate Traditional Name: cerium; dihydroxy(keto)ammonium; ethane-1,1-diol; manganese; 6-methylpyridin-1-ium-2-olate; hexahydrate Formula: C36H80Ce3Mn2N6O28+2 MolecularWeight: 1575.267898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[N+](=O)(O)O.[N+](=O)(O)O.O.O.O.O.O.O.[Mn].[Mn].[Ce].[Ce].[Ce]

Isomeric SMILES

CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC1=[NH+]C(=CC=C1)[O-].CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.[N+](=O)(O)O.[N+](=O)(O)O.O.O.O.O.O.O.[Mn].[Mn].[Ce].[Ce].[Ce]

InChI

InChI=1S/4C6H7NO.6C2H6O2.3Ce.2Mn.2H2NO3.6H2O/c4*1-5-3-2-4-6(8)7-5;6*1-2(3)4;;;;;;2*2-1(3)4;;;;;;/h4*2-4H,1H3,(H,7,8);6*2-4H,1H3;;;;;;2*(H2,2,3,4);6*1H2/q;;;;;;;;;;;;;;;2*+1;;;;;;