Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TC7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
2 InChIKey InChI 1.03 LHJGJYXLEPZJPM-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Clc1cc(O)c(Cl)cc1Cl
4 SMILES CACTVS 3.341 Oc1cc(Cl)c(Cl)cc1Cl
5 SMILES OpenEye OEToolkits 1.5.0 c1c(c(cc(c1Cl)Cl)Cl)O
6 Canonical SMILES CACTVS 3.341 Oc1cc(Cl)c(Cl)cc1Cl
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(c(cc(c1Cl)Cl)Cl)O