Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : XDH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
2 InChIKey InChI 1.03 KYPYTERUKNKOLP-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc1cc(cc(Cl)c1O)C(c2cc(Cl)c(O)c(Cl)c2)(C)C
4 SMILES CACTVS 3.370 CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2
5 SMILES OpenEye OEToolkits 1.7.0 CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl
6 Canonical SMILES CACTVS 3.370 CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl