Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 50Q    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H
2 InChIKey InChI 1.03 MACRIRNSUBEWEK-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl
4 SMILES CACTVS 3.385 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
5 SMILES OpenEye OEToolkits 1.9.2 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl
6 Canonical SMILES CACTVS 3.385 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl