Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : HH9    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)
2 InChIKey InChI 1.03 XMSOQTUJOFAGGK-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O