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Molecule : 4TX

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
2	InChIKey	InChI	1.03	HEMJJKBWTPKOJG-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c1c(OCCCC(C(=O)O)(C)C)c(ccc1C)C
4	SMILES	CACTVS	3.385	Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
5	SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C
6	Canonical SMILES	CACTVS	3.385	Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
7	Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C