4-[3,5-bis(fluoranyl)phenyl]-2,2-dimethyl-5-(3-methyl-4-methylsulfanylperoxy-phenyl)furan-3-one

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]-2,2-dimethyl-5-(3-methyl-4-methylsulfanylperoxy-phenyl)furan-3-one Openeye Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfanylperoxy-phenyl)furan-3-one CAS Name: methanesulfenic acid [4-[3-(3,5-difluorophenyl)-5,5-dimethyl-4-oxo-2-furanyl]-2-methylphenoxy] ester IUPAC Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfanylperoxyphenyl)furan-3-one Traditional Name: 4-(3,5-difluorophenyl)-2,2-dimethyl-5-[3-methyl-4-(methylthio)peroxy-phenyl]furan-3-one Formula: C20H18F2O4S MolecularWeight: 392.416326

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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)F)OOSC

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2O4S/c1-11-7-12(5-6-16(11)25-26-27-4)18-17(19(23)20(2,3)24-18)13-8-14(21)10-15(22)9-13/h5-10H,1-4H3