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Molecule : IFS

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3
2	InChIKey	InChI	1.03	JFZVPWMZPZJUTE-UHFFFAOYSA-N
3	SMILES	ACDLabs	11.02	O=P(OC(C)C)(OC(C)C)c1ccccc1CS
4	SMILES	CACTVS	3.352	CC(C)O[P](=O)(OC(C)C)c1ccccc1CS
5	SMILES	OpenEye OEToolkits	1.7.0	CC(C)OP(=O)(c1ccccc1CS)OC(C)C
6	Canonical SMILES	CACTVS	3.352	CC(C)O[P](=O)(OC(C)C)c1ccccc1CS
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)OP(=O)(c1ccccc1CS)OC(C)C