Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OXL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
2 InChIKey InChI 1.03 MUBZPKHOEPUJKR-UHFFFAOYSA-L
3 SMILES ACDLabs 10.04 [O-]C(=O)C([O-])=O
4 SMILES CACTVS 3.341 [O-]C(=O)C([O-])=O
5 SMILES OpenEye OEToolkits 1.5.0 C(=O)(C(=O)[O-])[O-]
6 Canonical SMILES CACTVS 3.341 [O-]C(=O)C([O-])=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(C(=O)[O-])[O-]