Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : JQE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14)
2 InChIKey InChI 1.03 BCQFHYKPVHGTMB-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12
4 SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O