cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate

Systemtic Name: cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Openeye Name: cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate CAS Name: cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate IUPAC Name: cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Traditional Name: cyclohexylmethanediol; manganese; phenylmethanediol; piperidin-1-ide; 2H-pyridin-1-ide; dihydrate Formula: C94H152Mn6N2O26-2 MolecularWeight: 2055.838774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CC[N-]CC1.C1C=CC=C[N-]1.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

Isomeric SMILES

C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CCC(CC1)C(O)O.C1CC[N-]CC1.C1C=CC=C[N-]1.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(O)O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

InChI

InChI=1S/6C7H14O2.6C7H8O2.C5H10N.C5H6N.6Mn.2H2O/c12*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;;;;;;;/h6*6-9H,1-5H2;6*1-5,7-9H;1-5H2;1-4H,5H2;;;;;;;2*1H2/q;;;;;;;;;;;;2*-1;;;;;;;;