Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BNZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
2 InChIKey InChI 1.03 UHOVQNZJYSORNB-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 c1ccccc1
4 SMILES CACTVS 3.352 c1ccccc1
5 SMILES OpenEye OEToolkits 1.7.0 c1ccccc1
6 Canonical SMILES CACTVS 3.352 c1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccccc1