1,3-dithiolan-2-ylmethanediol; manganese; thiolan-2-ylmethanediol; tetradecahydrate

Systemtic Name: 1,3-dithiolan-2-ylmethanediol; manganese; thiolan-2-ylmethanediol; tetradecahydrate Openeye Name: 1,3-dithiolan-2-ylmethanediol; manganese; tetrahydrothiophen-2-ylmethanediol; tetradecahydrate CAS Name: 1,3-dithiolan-2-ylmethanediol; manganese; 2-thiolanylmethanediol; tetradecahydrate IUPAC Name: 1,3-dithiolan-2-ylmethanediol; manganese; thiolan-2-ylmethanediol; tetradecahydrate Traditional Name: 1,3-dithiolan-2-ylmethanediol; manganese; tetrahydrothiophen-2-ylmethanediol; tetradecahydrate Formula: C66H160Mn12O46S30 MolecularWeight: 3311.155588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)C(O)O.C1CC(SC1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

Isomeric SMILES

C1CC(SC1)C(O)O.C1CC(SC1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.C1CSC(S1)C(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

InChI

InChI=1S/2C5H10O2S.14C4H8O2S2.12Mn.14H2O/c2*6-5(7)4-2-1-3-8-4;14*5-3(6)4-7-1-2-8-4;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*4-7H,1-3H2;14*3-6H,1-2H2;;;;;;;;;;;;;14*1H2