tetraoxidanium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate

Systemtic Name: tetraoxidanium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate Openeye Name: tetraoxonium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate CAS Name: tetraoxonium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate IUPAC Name: tetraoxidanium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate Traditional Name: tetraoxonium; 3,3-dimethylbutane-1,1-diol; manganese; dodecahydrate Formula: C96H260Mn12O48+4 MolecularWeight: 2842.319388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.[OH3+].[OH3+].[OH3+].[OH3+].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

CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.CC(C)(C)CC(O)O.[OH3+].[OH3+].[OH3+].[OH3+].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/16C6H14O2.12Mn.16H2O/c16*1-6(2,3)4-5(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h16*5,7-8H,4H2,1-3H3;;;;;;;;;;;;;16*1H2/p+4