ethyl 5-[5-methyl-4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]furan-2-carboxylate

Systemtic Name: ethyl 5-[5-methyl-4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]furan-2-carboxylate Openeye Name: ethyl 5-[4-hydroxy-5-methyl-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]furan-2-carboxylate CAS Name: 5-[4-hydroxy-5-methyl-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-hydroxy-5-methyl-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]furan-2-carboxylate Traditional Name: 5-[4-hydroxy-7-keto-5-methyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-3-yl]furan-2-carboxylic acid ethyl ester Formula: C18H17F3O6 MolecularWeight: 386.31919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)C2=C(OC3CC(=O)CC(C3=C2O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)C2=C(OC3CC(=O)CC(C3=C2O)C)C(F)(F)F

InChI

InChI=1S/C18H17F3O6/c1-3-25-17(24)11-5-4-10(26-11)14-15(23)13-8(2)6-9(22)7-12(13)27-16(14)18(19,20)21/h4-5,8,12,23H,3,6-7H2,1-2H3