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Molecule : 9ET

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C20H19NO4/c1-11-8-16-14-5-4-13(23)9-17(14)21-18(16)15-6-7-20(3,25-19(11)15)10-24-12(2)22/h4-9,21,23H,10H2,1-3H3/t20-/m1/s1
2	InChIKey	InChI	1.03	HGIQTDGMLIBTAD-HXUWFJFHSA-N
3	SMILES	CACTVS	3.385	CC(=O)OC[C]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1
4	SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c3ccc(cc3[nH]c2c4c1OC(C=C4)(C)COC(=O)C)O
5	Canonical SMILES	CACTVS	3.385	CC(=O)OC[C@]1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O