(3-fluoranyl-4-methyl-phenyl)methyl 3-oxidanylidenebutanoate

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)methyl 3-oxidanylidenebutanoate Openeye Name: (3-fluoro-4-methyl-phenyl)methyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid (3-fluoro-4-methylphenyl)methyl ester IUPAC Name: (3-fluoro-4-methylphenyl)methyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (3-fluoro-4-methyl-benzyl) ester Formula: C12H13FO3 MolecularWeight: 224.228223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FO3/c1-8-3-4-10(6-11(8)13)7-16-12(15)5-9(2)14/h3-4,6H,5,7H2,1-2H3