Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PEO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/H2O2/c1-2/h1-2H
2 InChIKey InChI 1.03 MHAJPDPJQMAIIY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OO
4 SMILES CACTVS 3.385 OO
5 SMILES OpenEye OEToolkits 2.0.7 OO
6 Canonical SMILES CACTVS 3.385 OO
7 Canonical SMILES OpenEye OEToolkits 2.0.7 OO