Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EOL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
2 InChIKey InChI 1.03 RRAFCDWBNXTKKO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Oc1ccc(cc1OC)C\C=C
4 SMILES CACTVS 3.370 COc1cc(CC=C)ccc1O
5 SMILES OpenEye OEToolkits 1.7.2 COc1cc(ccc1O)CC=C
6 Canonical SMILES CACTVS 3.370 COc1cc(CC=C)ccc1O
7 Canonical SMILES OpenEye OEToolkits 1.7.2 COc1cc(ccc1O)CC=C