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Molecule : 8KI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H20N2O6/c1-6-3-4-20-12(9(17)11(2,19)5-15)10(18)13-7(6)8(16)14-12/h6-7,9,15,17,19H,3-5H2,1-2H3,(H,13,18)(H,14,16)/t6-,7-,9-,11-,12-/m0/s1
2	InChIKey	InChI	1.03	BXNDMHSEWSMSNI-USYUNJQESA-N
3	SMILES	CACTVS	3.385	C[CH]1CCO[C]2(NC(=O)[CH]1NC2=O)[CH](O)[C](C)(O)CO
4	SMILES	OpenEye OEToolkits	2.0.7	CC1CCOC2(C(=O)NC1C(=O)N2)C(C(C)(CO)O)O
5	Canonical SMILES	CACTVS	3.385	C[C@H]1CCO[C@@]2(NC(=O)[C@H]1NC2=O)[C@@H](O)[C@@](C)(O)CO
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CCO[C@]2(C(=O)N[C@@H]1C(=O)N2)[C@H]([C@](C)(CO)O)O