methyl 2-fluoranyl-3-methylsulfonyl-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-fluoranyl-3-methylsulfonyl-4-propan-2-yl-benzoate Openeye Name: methyl 2-fluoro-4-isopropyl-3-methylsulfonyl-benzoate CAS Name: 2-fluoro-3-methylsulfonyl-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-fluoro-3-methylsulfonyl-4-propan-2-ylbenzoate Traditional Name: 2-fluoro-4-isopropyl-3-mesyl-benzoic acid methyl ester Formula: C12H15FO4S MolecularWeight: 274.308503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FO4S/c1-7(2)8-5-6-9(12(14)17-3)10(13)11(8)18(4,15)16/h5-7H,1-4H3