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Molecule : M74

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)/t7-,8+/m1/s1
2	InChIKey	InChI	1.03	BNOUUNAFHCJIJD-SFYZADRCSA-N
3	SMILES	ACDLabs	12.01	O=C(O)C(O)C(O)c1ccccc1
4	SMILES	CACTVS	3.385	O[CH]([CH](O)c1ccccc1)C(O)=O
5	SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C(C(C(=O)O)O)O
6	Canonical SMILES	CACTVS	3.385	O[C@@H]([C@H](O)c1ccccc1)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O