Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : L3C    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
2 InChIKey InChI 1.03 OITNBJHJJGMFBN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 ClCc1ccc(cc1)C(=O)O
4 SMILES CACTVS 3.385 OC(=O)c1ccc(CCl)cc1
5 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CCl)C(=O)O
6 Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(CCl)cc1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CCl)C(=O)O