methyl 4-cyclohexyl-2-fluoranyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-cyclohexyl-2-fluoranyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-cyclohexyl-2-fluoro-3-methylsulfonyl-benzoate CAS Name: 4-cyclohexyl-2-fluoro-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-cyclohexyl-2-fluoro-3-methylsulfonylbenzoate Traditional Name: 4-cyclohexyl-2-fluoro-3-mesyl-benzoic acid methyl ester Formula: C15H19FO4S MolecularWeight: 314.372363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C2CCCCC2)S(=O)(=O)C)F

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C2CCCCC2)S(=O)(=O)C)F

InChI

InChI=1S/C15H19FO4S/c1-20-15(17)12-9-8-11(10-6-4-3-5-7-10)14(13(12)16)21(2,18)19/h8-10H,3-7H2,1-2H3