4-[3-(bromomethyl)-4-methylsulfonyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one

Systemtic Name: 4-[3-(bromomethyl)-4-methylsulfonyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one Openeye Name: 4-[3-(bromomethyl)-4-methylsulfonyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one CAS Name: 4-[3-(bromomethyl)-4-methylsulfonylphenyl]-3-(4-fluorophenyl)-5,5-dimethyl-2-furanone IUPAC Name: 4-[3-(bromomethyl)-4-methylsulfonylphenyl]-3-(4-fluorophenyl)-5,5-dimethylfuran-2-one Traditional Name: 4-[3-(bromomethyl)-4-mesyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one Formula: C20H18BrFO4S MolecularWeight: 453.321923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrFO4S/c1-20(2)18(13-6-9-16(27(3,24)25)14(10-13)11-21)17(19(23)26-20)12-4-7-15(22)8-5-12/h4-10H,11H2,1-3H3