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

Systemtic Name: 4-[3-(bromomethyl)-4-methylperoxysulfanyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one Openeye Name: 4-[3-(bromomethyl)-4-methylperoxysulfanyl-phenyl]-3-(4-fluorophenyl)-5,5-dimethyl-furan-2-one CAS Name: 2-(bromomethyl)-4-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxo-3-furanyl]benzenesulfenic acid methoxy ester IUPAC Name: 4-[3-(bromomethyl)-4-methylperoxysulfanylphenyl]-3-(4-fluorophenyl)-5,5-dimethylfuran-2-one Traditional Name: 4-[3-(bromomethyl)-4-(methylperoxythio)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)SOOC)CBr)C

Isomeric SMILES

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

InChI

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