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ethane-1,1-diol; manganese; manganese(2+); manganese(3+); piperidin-1-ide; piperidin-1-id-2-ylmethanediol; piperidin-1-id-2-ylmethanol; heptadecahydrate

Systemtic Name:	ethane-1,1-diol; manganese; manganese(2+); manganese(3+); piperidin-1-ide; piperidin-1-id-2-ylmethanediol; piperidin-1-id-2-ylmethanol; heptadecahydrate
Openeye Name:	manganic; dimanganous; ethane-1,1-diol; manganese; piperidin-1-ide; piperidin-1-id-2-ylmethanediol; piperidin-1-id-2-ylmethanol; heptadecahydrate
CAS Name:	ethane-1,1-diol; manganese; manganese(2+); manganese(3+); piperidin-1-ide; 2-piperidin-1-idylmethanediol; 2-piperidin-1-idylmethanol; heptadecahydrate
IUPAC Name:	ethane-1,1-diol; manganese; manganese(2+); manganese(3+); piperidin-1-ide; piperidin-1-id-2-ylmethanediol; piperidin-1-id-2-ylmethanol; heptadecahydrate
Traditional Name:	manganic; dimanganous; ethane-1,1-diol; manganese; piperidin-1-ide; piperidin-1-id-2-ylmethanediol; piperidin-1-id-2-ylmethanol; heptadecahydrate
Formula:	C₉₇H₂₆₀Mn₂₁N₁₁O₆₁-4
MolecularWeight:	3710.838429

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.C1CC[N-]CC1.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)CO.C1CC[N-]C(C1)C(O)O.C1CC[N-]C(C1)C(O)O.O.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].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn].[Mn+2].[Mn+2].[Mn+3]

Isomeric SMILES

InChI

InChI=1S/2C6H12NO2.8C6H12NO.C5H10N.16C2H6O2.21Mn.17H2O/c2*8-6(9)5-3-1-2-4-7-5;8*8-5-6-3-1-2-4-7-6;1-2-4-6-5-3-1;16*1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*5-6,8-9H,1-4H2;8*6,8H,1-5H2;1-5H2;16*2-4H,1H3;;;;;;;;;;;;;;;;;;;;;;17*1H2/q11*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;+3;;;;;;;;;;;;;;;;;

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