2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]furan-3-one

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]furan-3-one CAS Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 5-(4-mesylphenyl)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]furan-3-one Formula: C20H17F3O4S MolecularWeight: 410.40679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C20H17F3O4S/c1-19(2)18(24)16(14-6-4-5-7-15(14)20(21,22)23)17(27-19)12-8-10-13(11-9-12)28(3,25)26/h4-11H,1-3H3