octaoxidanium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate

Systemtic Name: octaoxidanium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate Openeye Name: octaoxonium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate CAS Name: octaoxonium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate IUPAC Name: octaoxidanium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate Traditional Name: octaoxonium; butane-1,1,4,4-tetrol; manganese; methanol; propane-1,1-diol; dihydrate Formula: C22H90Mn6O30+8 MolecularWeight: 1164.560294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)O.CCC(O)O.CO.CO.CO.CO.C(CC(O)O)C(O)O.C(CC(O)O)C(O)O.C(CC(O)O)C(O)O.[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

Isomeric SMILES

CCC(O)O.CCC(O)O.CO.CO.CO.CO.C(CC(O)O)C(O)O.C(CC(O)O)C(O)O.C(CC(O)O)C(O)O.[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].[OH3+].O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]

InChI

InChI=1S/3C4H10O4.2C3H8O2.4CH4O.6Mn.10H2O/c3*5-3(6)1-2-4(7)8;2*1-2-3(4)5;4*1-2;;;;;;;;;;;;;;;;/h3*3-8H,1-2H2;2*3-5H,2H2,1H3;4*2H,1H3;;;;;;;10*1H2/p+8