2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyloxy)phenyl]furan-3-one

Systemtic Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyloxy)phenyl]furan-3-one Openeye Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]furan-3-one CAS Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-3-furanone IUPAC Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]furan-3-one Traditional Name: 2-ethyl-5-(4-mesylphenyl)-2-methyl-4-[4-(trifluoromethoxy)phenyl]furan-3-one Formula: C21H19F3O5S MolecularWeight: 440.43277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC(F)(F)F)C

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC(F)(F)F)C

InChI

InChI=1S/C21H19F3O5S/c1-4-20(2)19(25)17(13-5-9-15(10-6-13)28-21(22,23)24)18(29-20)14-7-11-16(12-8-14)30(3,26)27/h5-12H,4H2,1-3H3