Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BZM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
2 InChIKey InChI 1.03 SESFRYSPDFLNCH-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(OCc1ccccc1)c2ccccc2
4 SMILES CACTVS 3.341 O=C(OCc1ccccc1)c2ccccc2
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COC(=O)c2ccccc2
6 Canonical SMILES CACTVS 3.341 O=C(OCc1ccccc1)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)COC(=O)c2ccccc2