Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T6C    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
2 InChIKey InChI 1.03 LINPIYWFGCPVIE-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc1cc(Cl)cc(Cl)c1O
4 SMILES CACTVS 3.370 Oc1c(Cl)cc(Cl)cc1Cl
5 SMILES OpenEye OEToolkits 1.7.6 c1c(cc(c(c1Cl)O)Cl)Cl
6 Canonical SMILES CACTVS 3.370 Oc1c(Cl)cc(Cl)cc1Cl
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(cc(c(c1Cl)O)Cl)Cl