Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SYN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
2 InChIKey InChI 1.03 PPBRXRYQALVLMV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C=C\c1ccccc1
4 SMILES CACTVS 3.370 C=Cc1ccccc1
5 SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccccc1
6 Canonical SMILES CACTVS 3.370 C=Cc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccccc1