azanide; dicyanoazanide; manganese; manganese(2+); manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate

Systemtic Name: azanide; dicyanoazanide; manganese; manganese(2+); manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate Openeye Name: tetramanganic; dimanganous; azanide; dicyanoazanide; manganese; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate CAS Name: azanide; dicyanoazanide; manganese; manganese(2+); manganese(3+); 2-piperidin-1-idylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate IUPAC Name: azanide; dicyanoazanide; manganese; manganese(2+); manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate Traditional Name: tetramanganic; dimanganous; azanide; dicyanoazanide; manganese; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol; hexahydrate Formula: C36H68Mn11N28O10 MolecularWeight: 1657.425259

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1C=CC=C([N-]1)CO.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3]

Isomeric SMILES

C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1C=CC=C([N-]1)CO.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.C(#N)[N-]C#N.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn+2].[Mn+2].[Mn+3].[Mn+3].[Mn+3].[Mn+3]

InChI

InChI=1S/3C6H12NO.C6H8NO.6C2N3.11Mn.6H2N.6H2O/c4*8-5-6-3-1-2-4-7-6;6*3-1-5-2-4;;;;;;;;;;;;;;;;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;;;;;;;;;;;;;;;;;;12*1H2/q10*-1;;;;;;2*+2;4*+3;6*-1;;;;;;