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

Systemtic Name: 5-(3-bromanyl-4-methylsulfonyl-phenyl)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]furan-3-one Openeye Name: 5-(3-bromo-4-methylsulfonyl-phenyl)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]furan-3-one CAS Name: 5-(3-bromo-4-methylsulfonylphenyl)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3-furanone IUPAC Name: 5-(3-bromo-4-methylsulfonylphenyl)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]furan-3-one Traditional Name: 5-(3-bromo-4-mesyl-phenyl)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]furan-3-one Formula: C20H16BrF3O4S MolecularWeight: 489.30285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrF3O4S/c1-19(2)18(25)16(11-5-4-6-13(9-11)20(22,23)24)17(28-19)12-7-8-15(14(21)10-12)29(3,26)27/h4-10H,1-3H3