methyl 2-(4-fluoranyl-3-methyl-phenyl)carbonyl-3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: methyl 2-(4-fluoranyl-3-methyl-phenyl)carbonyl-3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: methyl 2-(4-fluoro-3-methyl-benzoyl)-3,3-dimethyl-5-oxo-hexanoate CAS Name: 2-[(4-fluoro-3-methylphenyl)-oxomethyl]-3,3-dimethyl-5-oxohexanoic acid methyl ester IUPAC Name: methyl 2-(4-fluoro-3-methylbenzoyl)-3,3-dimethyl-5-oxohexanoate Traditional Name: 2-(4-fluoro-3-methyl-benzoyl)-5-keto-3,3-dimethyl-hexanoic acid methyl ester Formula: C17H21FO4 MolecularWeight: 308.344643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C(C(=O)OC)C(C)(C)CC(=O)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C(C(=O)OC)C(C)(C)CC(=O)C)F

InChI

InChI=1S/C17H21FO4/c1-10-8-12(6-7-13(10)18)15(20)14(16(21)22-5)17(3,4)9-11(2)19/h6-8,14H,9H2,1-5H3