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Molecule : TBU

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
2	InChIKey	InChI	1.03	DKGAVHZHDRPRBM-UHFFFAOYSA-N
3	SMILES	ACDLabs	11.02	OC(C)(C)C
4	SMILES	CACTVS	3.352	CC(C)(C)O
5	SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)O
6	Canonical SMILES	CACTVS	3.352	CC(C)(C)O
7	Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)O