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

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

Systemtic Name:ethanol; manganese; 6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one; phenylmethanediol; dihydrate
Openeye Name:ethanol; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; manganese; phenylmethanediol; dihydrate
CAS Name:ethanol; 6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone; manganese; phenylmethanediol; dihydrate
IUPAC Name:ethanol; 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one; manganese; phenylmethanediol; dihydrate
Traditional Name:ethanol; 6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one; manganese; phenylmethanediol; dihydrate
Formula: C64H86Mn6N6O22
MolecularWeight: 1621.022934
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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CCO.CCO.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(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.C1=CC=C(C=C1)C(O)O.C1=CC=C(C=C1)C(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/6C7H7NO2.2C7H8O2.4C2H6O.6Mn.2H2O/c6*9-7-4-2-1-3-6(7)5-8-10;2*8-7(9)6-4-2-1-3-5-6;4*1-2-3;;;;;;;;/h6*1-5,8,10H;2*1-5,7-9H;4*3H,2H2,1H3;;;;;;;2*1H2


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