4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylperoxysulfanyl-phenyl)furan-3-one

Systemtic Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylperoxysulfanyl-phenyl)furan-3-one Openeye Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylperoxysulfanyl-phenyl)furan-3-one CAS Name: 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxo-2-furanyl]-2-methylbenzenesulfenic acid methoxy ester IUPAC Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylperoxysulfanylphenyl)furan-3-one Traditional Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-[3-methyl-4-(methylperoxythio)phenyl]furan-3-one Formula: C20H19FO4S MolecularWeight: 374.425863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(=O)C(O2)(C)C)C3=CC(=CC=C3)F)SOOC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(=O)C(O2)(C)C)C3=CC(=CC=C3)F)SOOC

InChI

InChI=1S/C20H19FO4S/c1-12-10-14(8-9-16(12)26-25-23-4)18-17(19(22)20(2,3)24-18)13-6-5-7-15(21)11-13/h5-11H,1-4H3