Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0YF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
2 InChIKey InChI 1.03 MVFHRQWYCXYYMU-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)CCc1ccc(cc1)c2ccccc2
4 SMILES CACTVS 3.370 OC(=O)CCc1ccc(cc1)c2ccccc2
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cc2)CCC(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)CCc1ccc(cc1)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cc2)CCC(=O)O