methyl 3-tert-butyl-5-fluoranyl-benzoate

Systemtic Name: methyl 3-tert-butyl-5-fluoranyl-benzoate Openeye Name: methyl 3-tert-butyl-5-fluoro-benzoate CAS Name: 3-tert-butyl-5-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-tert-butyl-5-fluorobenzoate Traditional Name: 3-tert-butyl-5-fluoro-benzoic acid methyl ester Formula: C12H15FO2 MolecularWeight: 210.244703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3