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Molecule : ARI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1
2	InChIKey	InChI	1.03	NNWBJOVUTCFRGH-LPBLVHEISA-N
3	SMILES	ACDLabs	10.04	O=C(OC1C(OC(O)CC1)C)C
4	SMILES	CACTVS	3.341	C[CH]1O[CH](O)CC[CH]1OC(C)=O
5	SMILES	OpenEye OEToolkits	1.5.0	CC1C(CCC(O1)O)OC(=O)C
6	Canonical SMILES	CACTVS	3.341	C[C@H]1O[C@@H](O)CC[C@H]1OC(C)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C