Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : CLX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
2 InChIKey InChI 1.03 HFFLGKNGCAIQMO-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 ClC(Cl)(Cl)C=O
4 SMILES CACTVS 3.341 ClC(Cl)(Cl)C=O
5 SMILES OpenEye OEToolkits 1.5.0 C(=O)C(Cl)(Cl)Cl
6 Canonical SMILES CACTVS 3.341 ClC(Cl)(Cl)C=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)C(Cl)(Cl)Cl