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

Systemtic Name: 2,2-diethyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 2,2-diethyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]furan-3-one CAS Name: 2,2-diethyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 2,2-diethyl-5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 2,2-diethyl-5-(4-mesylphenyl)-4-[4-(trifluoromethyl)phenyl]furan-3-one Formula: C22H21F3O4S MolecularWeight: 438.45995

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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)C(F)(F)F)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3O4S/c1-4-21(5-2)20(26)18(14-6-10-16(11-7-14)22(23,24)25)19(29-21)15-8-12-17(13-9-15)30(3,27)28/h6-13H,4-5H2,1-3H3