diethyl 2-[3,5-bis(fluoranyl)phenyl]-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl 2-[3,5-bis(fluoranyl)phenyl]-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl 2-(3,5-difluorophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 2-(3,5-difluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3,5-difluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 2-(3,5-difluorophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C19H22F2O6 MolecularWeight: 384.371186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC(=C2)F)F

Isomeric SMILES

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C19H22F2O6/c1-4-26-17(23)15-13(22)9-19(3,25)16(18(24)27-5-2)14(15)10-6-11(20)8-12(21)7-10/h6-8,14-16,25H,4-5,9H2,1-3H3