Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LXH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
2 InChIKey InChI 1.03 DZIQUZJSNSZOCH-QMMMGPOBSA-N
3 SMILES CACTVS 3.385 COC(=O)[CH](C)c1ccccc1
4 SMILES OpenEye OEToolkits 2.0.7 CC(c1ccccc1)C(=O)OC
5 Canonical SMILES CACTVS 3.385 COC(=O)[C@@H](C)c1ccccc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H](c1ccccc1)C(=O)OC