(3-chloranylcyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate

Systemtic Name: (3-chloranylcyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate Openeye Name: (3-chlorocyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate CAS Name: (3-chlorocyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate IUPAC Name: (3-chlorocyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate Traditional Name: (3-chlorocyclohexyl)methanediol; manganese; (3-methylcyclohexyl)methanediol; 3-methylpiperidin-1-ide; 5-methyl-2H-pyridin-1-ide; hydrate Formula: C64H124Cl2Mn3N3O13-3 MolecularWeight: 1379.401807

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCC[N-]C1.CC1CCC[N-]C1.CC1=C[N-]CC=C1.C1CC(CC(C1)Cl)C(O)O.C1CC(CC(C1)Cl)C(O)O.O.[Mn].[Mn].[Mn]

Isomeric SMILES

CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCCC(C1)C(O)O.CC1CCC[N-]C1.CC1CCC[N-]C1.CC1=C[N-]CC=C1.C1CC(CC(C1)Cl)C(O)O.C1CC(CC(C1)Cl)C(O)O.O.[Mn].[Mn].[Mn]

InChI

InChI=1S/4C8H16O2.2C7H13ClO2.2C6H12N.C6H8N.3Mn.H2O/c4*1-6-3-2-4-7(5-6)8(9)10;2*8-6-3-1-2-5(4-6)7(9)10;3*1-6-3-2-4-7-5-6;;;;/h4*6-10H,2-5H2,1H3;2*5-7,9-10H,1-4H2;2*6H,2-5H2,1H3;2-3,5H,4H2,1H3;;;;1H2/q;;;;;;3*-1;;;;