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3-[3-[3,3-bis(oxidanyl)propyl]cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate

3-[3-[3,3-bis(oxidanyl)propyl]cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate

Systemtic Name:3-[3-[3,3-bis(oxidanyl)propyl]cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate
Openeye Name:3-[3-(3,3-dihydroxypropyl)cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate
CAS Name:3-[3-(3,3-dihydroxypropyl)cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate
IUPAC Name:3-[3-(3,3-dihydroxypropyl)cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate
Traditional Name:3-[3-(3,3-dihydroxypropyl)cyclohexyl]propane-1,1-diol; manganese; piperidin-1-ide; hydrate
Formula: C51H104Mn3N3O13-3
MolecularWeight: 1132.197907
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC(CC(C1)CCC(O)O)CCC(O)O.C1CC(CC(C1)CCC(O)O)CCC(O)O.C1CC(CC(C1)CCC(O)O)CCC(O)O.O.[Mn].[Mn].[Mn]


Isomeric SMILES

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC(CC(C1)CCC(O)O)CCC(O)O.C1CC(CC(C1)CCC(O)O)CCC(O)O.C1CC(CC(C1)CCC(O)O)CCC(O)O.O.[Mn].[Mn].[Mn]


InChI

InChI=1S/3C12H24O4.3C5H10N.3Mn.H2O/c3*13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16;3*1-2-4-6-5-3-1;;;;/h3*9-16H,1-8H2;3*1-5H2;;;;1H2/q;;;3*-1;;;;


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