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Obsolete: 3OF

Summary
Name:HYDRATED FE (III) ION, 2 WATERS COORDINATED
Formula:Fe H4 O2
Formal charge:3
Formula weight:91.876 Da
Component type:NON-POLYMER
Ambiguous Chemistry Warning:The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.02bInChI=1/Fe.2H2O/h;2*1H2/q+3;;/rFeH4O2/c2-1-3/h2-3H2/q+3
InChIKeyInChI1.02bSZDOSDXWAOBQFH-SWXSXKEPAZ
SMILES_CANONICALCACTVS3.341O|[Fe+3]|O
SMILESCACTVS3.341O|[Fe+3]|O
SMILES_CANONICALOpenEye OEToolkits1.5.0[OH2][Fe+3][OH2]
SMILESOpenEye OEToolkits1.5.0[OH2][Fe+3][OH2]

217705

PDB entries from 2024-03-27

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