Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WJ2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m1/s1
2 InChIKey InChI 1.03 LIDRHDRWTSPELB-MRVPVSSYSA-N
3 SMILES ACDLabs 12.01 ClC(C(=O)O)Cc1ccccc1
4 SMILES CACTVS 3.370 OC(=O)[CH](Cl)Cc1ccccc1
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)CC(C(=O)O)Cl
6 Canonical SMILES CACTVS 3.370 OC(=O)[C@H](Cl)Cc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C[C@H](C(=O)O)Cl