Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VZ7    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
2 InChIKey InChI 1.03 GZOXMJOUUULDTN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CC(C)(c1cccc(c1)Cl)COC(=O)O
4 SMILES CACTVS 3.385 CC(C)(COC(O)=O)c1cccc(Cl)c1
5 SMILES OpenEye OEToolkits 2.0.7 CC(C)(COC(=O)O)c1cccc(c1)Cl
6 Canonical SMILES CACTVS 3.385 CC(C)(COC(O)=O)c1cccc(Cl)c1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(COC(=O)O)c1cccc(c1)Cl