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Molecule : PKQ

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3
2	InChIKey	InChI	1.06	FEXBXMFVRKZOOZ-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
4	SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br
5	Canonical SMILES	CACTVS	3.385	CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br