Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TCV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2HCl3/c3-1-2(4)5/h1H
2 InChIKey InChI 1.03 XSTXAVWGXDQKEL-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Cl[C@H]=C(Cl)Cl
4 SMILES CACTVS 3.385 ClC=C(Cl)Cl
5 SMILES OpenEye OEToolkits 1.7.6 C(=C(Cl)Cl)Cl
6 Canonical SMILES CACTVS 3.385 ClC=C(Cl)Cl
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C(=C(Cl)Cl)Cl