Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : RG6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H
2 InChIKey InChI 1.06 VFNOHWLGFSZWDJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F
4 SMILES CACTVS 3.385 Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F
5 SMILES OpenEye OEToolkits 2.0.7 c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F
6 Canonical SMILES CACTVS 3.385 Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(cc(c(c1SC(F)(F)F)O)Cl)SC(F)(F)F