2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate

Systemtic Name: 2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate Openeye Name: 2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate CAS Name: 2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate IUPAC Name: 2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate Traditional Name: 2,2-dimethylpropane-1,1-diol; manganese; pyrazol-2-ide; dihydrate Formula: C62H136Mn6N8O22-4 MolecularWeight: 1675.411934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.C1=C[N-]N=C1.C1=C[N-]N=C1.C1=C[N-]N=C1.C1=C[N-]N=C1.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

Isomeric SMILES

CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(C)(C)C(O)O.C1=C[N-]N=C1.C1=C[N-]N=C1.C1=C[N-]N=C1.C1=C[N-]N=C1.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

InChI

InChI=1S/10C5H12O2.4C3H3N2.6Mn.2H2O/c10*1-5(2,3)4(6)7;4*1-2-4-5-3-1;;;;;;;;/h10*4,6-7H,1-3H3;4*1-3H;;;;;;;2*1H2/q;;;;;;;;;;4*-1;;;;;;;;