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Molecule : E9J

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
2	InChIKey	InChI	1.03	RVIXKSXCAWSWSX-ZETCQYMHSA-N
3	SMILES	ACDLabs	12.01	C(C(NC(C)c1ccccc1)=O)(O)=O
4	SMILES	CACTVS	3.385	C[CH](NC(=O)C(O)=O)c1ccccc1
5	SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccccc1)NC(=O)C(=O)O
6	Canonical SMILES	CACTVS	3.385	C[C@H](NC(=O)C(O)=O)c1ccccc1
7	Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H](c1ccccc1)NC(=O)C(=O)O