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Molecule : J1W

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
2	InChIKey	InChI	1.03	DPRAYRYQQAXQPE-OAHLLOKOSA-N
3	SMILES	CACTVS	3.385	CCCCCCCCCCCCCC[CH](Br)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCCC(C(=O)O)Br
5	Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCC[C@@H](Br)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCC[C@H](C(=O)O)Br