Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PCL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/2ClH.Pt/h2*1H;/q;;+2/p-2
2 InChIKey InChI 1.03 CLSUSRZJUQMOHH-UHFFFAOYSA-L
3 SMILES ACDLabs 10.04 Cl[Pt]Cl
4 SMILES CACTVS 3.341 Cl[Pt]Cl
5 SMILES OpenEye OEToolkits 1.5.0 Cl[Pt]Cl
6 Canonical SMILES CACTVS 3.341 Cl[Pt]Cl
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cl[Pt]Cl