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

Systemtic Name: 4-(2-fluoranyl-4-methylperoxysulfanyl-phenyl)-3-(4-methoxy-3-methyl-phenyl)-5,5-dimethyl-furan-2-one Openeye Name: 4-(2-fluoro-4-methylperoxysulfanyl-phenyl)-3-(4-methoxy-3-methyl-phenyl)-5,5-dimethyl-furan-2-one CAS Name: 3-fluoro-4-[4-(4-methoxy-3-methylphenyl)-2,2-dimethyl-5-oxo-3-furanyl]benzenesulfenic acid methoxy ester IUPAC Name: 4-(2-fluoro-4-methylperoxysulfanylphenyl)-3-(4-methoxy-3-methylphenyl)-5,5-dimethylfuran-2-one Traditional Name: 4-[2-fluoro-4-(methylperoxythio)phenyl]-3-(4-methoxy-3-methyl-phenyl)-5,5-dimethyl-furan-2-one Formula: C21H21FO5S MolecularWeight: 404.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(OC2=O)(C)C)C3=C(C=C(C=C3)SOOC)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(OC2=O)(C)C)C3=C(C=C(C=C3)SOOC)F)OC

InChI

InChI=1S/C21H21FO5S/c1-12-10-13(6-9-17(12)24-4)18-19(21(2,3)26-20(18)23)15-8-7-14(11-16(15)22)28-27-25-5/h6-11H,1-5H3