Structural Complex
Chemical ID: OFO
IUPAC Name: HYDROXY DIIRON-OXO MOIETY
Formal Charge: ?
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: Fe2 H O2
Molecular weight: 144.697
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 0
Heavy Atoms: 4
Systematic name
Program Version Descriptor
OpenEye OEToolkits 1.5.0 hydroxyferriooxyiron
Chemical Descriptors
Type Program Version Descriptor
SMILES_CANONICAL CACTVS 3.341 O[Fe]O[Fe]
SMILES CACTVS 3.341 O[Fe]O[Fe]
SMILES_CANONICAL OpenEye OEToolkits 1.5.0 O[Fe]O[Fe]
SMILES OpenEye OEToolkits 1.5.0 O[Fe]O[Fe]
InChI InChI 1.03 InChI=1S/2Fe.H2O.O/h;;1H2;/q;+1;;/p-1
InChIKey InChI 1.03 HLBQEWFJZLSCMX-UHFFFAOYSA-M
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