Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6WT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
2 InChIKey InChI 1.03 YVGGHNCTFXOJCH-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
4 SMILES OpenEye OEToolkits 2.0.5 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl
5 Canonical SMILES CACTVS 3.385 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
6 Canonical SMILES OpenEye OEToolkits 2.0.5 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl