3-[2,6-bis(trifluoromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one

Systemtic Name: 3-[2,6-bis(trifluoromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one Openeye Name: 3-[2,6-bis(trifluoromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one CAS Name: 3-[2,6-bis(trifluoromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)-4-pyranone IUPAC Name: 3-[2,6-bis(trifluoromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one Traditional Name: 3-[2,6-bis(trifluoromethyl)phenyl]-2-(4-mesylphenyl)-6-methyl-pyran-4-one Formula: C21H14F6O4S MolecularWeight: 476.388879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F6O4S/c1-11-10-16(28)18(19(31-11)12-6-8-13(9-7-12)32(2,29)30)17-14(20(22,23)24)4-3-5-15(17)21(25,26)27/h3-10H,1-2H3