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PDBeChem : Molecule Descriptors
Molecule : CFO
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
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 |
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