[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-methylsulfonylbenzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-methylsulfonylbenzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H17FO5S MolecularWeight: 364.387983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FO5S/c1-25(22,23)16-5-2-4-14(12-16)18(21)24-11-3-6-17(20)13-7-9-15(19)10-8-13/h2,4-5,7-10,12H,3,6,11H2,1H3