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Molecule : EHV

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H11BrO4/c1-6-3-2-4-7(12)10(6)8(13)5-9(14)11(15)16/h2-4,9,14H,5H2,1H3,(H,15,16)/t9-/m0/s1
2	InChIKey	InChI	1.03	IVYZFNJLGIAMIT-VIFPVBQESA-N
3	SMILES	ACDLabs	12.01	Cc1cccc(c1C(CC(C(O)=O)O)=O)Br
4	SMILES	CACTVS	3.385	Cc1cccc(Br)c1C(=O)C[CH](O)C(O)=O
5	SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1C(=O)CC(C(=O)O)O)Br
6	Canonical SMILES	CACTVS	3.385	Cc1cccc(Br)c1C(=O)C[C@H](O)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br