Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZZ1    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
2 InChIKey InChI 1.03 PSGQCCSGKGJLRL-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C2Oc1ccccc1C(=C2)C
4 SMILES CACTVS 3.341 CC1=CC(=O)Oc2ccccc12
5 SMILES OpenEye OEToolkits 1.5.0 CC1=CC(=O)Oc2c1cccc2
6 Canonical SMILES CACTVS 3.341 CC1=CC(=O)Oc2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=CC(=O)Oc2c1cccc2