bis(oxidanyl)-oxidanylidene-azanium; ethanenitrile; manganese; manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol

Systemtic Name: bis(oxidanyl)-oxidanylidene-azanium; ethanenitrile; manganese; manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol Openeye Name: dimanganic; acetonitrile; dihydroxy(oxo)ammonium; manganese; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol CAS Name: acetonitrile; dihydroxy(oxo)ammonium; manganese; manganese(3+); 2-piperidin-1-idylmethanol; 2H-pyridin-1-id-6-ylmethanol IUPAC Name: acetonitrile; dihydroxy(oxo)azanium; manganese; manganese(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol Traditional Name: dimanganic; acetonitrile; dihydroxy(keto)ammonium; manganese; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol Formula: C40H78Mn4N10O12+2 MolecularWeight: 1110.859316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C6H12NO.C6H8NO.2C2H3N.4Mn.2H2NO3/c6*8-5-6-3-1-2-4-7-6;2*1-2-3;;;;;2*2-1(3)4/h5*6,8H,1-5H2;1-3,8H,4-5H2;2*1H3;;;;;2*(H2,2,3,4)/q6*-1;;;;;2*+3;2*+1