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ethane-1,1-diol; ethanol; manganese; 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; dihydrate

ethane-1,1-diol; ethanol; manganese; 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; dihydrate

Systemtic Name:ethane-1,1-diol; ethanol; manganese; 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; dihydrate
Openeye Name:ethane-1,1-diol; ethanol; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; manganese; dihydrate
CAS Name:ethane-1,1-diol; ethanol; 6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone; manganese; dihydrate
IUPAC Name:ethane-1,1-diol; ethanol; 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one; manganese; dihydrate
Traditional Name:ethane-1,1-diol; ethanol; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; manganese; dihydrate
Formula: C54H82Mn6N6O22
MolecularWeight: 1496.884174
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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CCO.CCO.CC(O)O.CC(O)O.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]


Isomeric SMILES

CCO.CCO.CCO.CCO.CC(O)O.CC(O)O.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.C1=CC(=CNO)C(=O)C=C1.O.O.[Mn].[Mn].[Mn].[Mn].[Mn].[Mn]


InChI

InChI=1S/6C7H7NO2.2C2H6O2.4C2H6O.6Mn.2H2O/c6*9-7-4-2-1-3-6(7)5-8-10;2*1-2(3)4;4*1-2-3;;;;;;;;/h6*1-5,8,10H;2*2-4H,1H3;4*3H,2H2,1H3;;;;;;;2*1H2


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