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Molecule : F9B

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1
2	InChIKey	InChI	1.03	KRBDCALBFRZJTM-AWEZNQCLSA-N
3	SMILES	CACTVS	3.385	OCC(CO)NC[CH](O)COc1cccc2ccccc12
4	SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O
5	Canonical SMILES	CACTVS	3.385	OCC(CO)NC[C@H](O)COc1cccc2ccccc12
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O