Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CFO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/ClH.2Fe.O/h1H;;;/q;;+1;/p-1
2 InChIKey InChI 1.03 KBTPJIQAZMMQJH-UHFFFAOYSA-M
3 SMILES CACTVS 3.341 Cl[Fe]O[Fe]
4 SMILES OpenEye OEToolkits 1.5.0 O([Fe])[Fe]Cl
5 Canonical SMILES CACTVS 3.341 Cl[Fe]O[Fe]
6 Canonical SMILES OpenEye OEToolkits 1.5.0 O([Fe])[Fe]Cl