4-(3-chlorophenyl)-2,2-diethyl-5-(4-methylperoxysulfanylphenyl)furan-3-one

Systemtic Name: 4-(3-chlorophenyl)-2,2-diethyl-5-(4-methylperoxysulfanylphenyl)furan-3-one Openeye Name: 4-(3-chlorophenyl)-2,2-diethyl-5-(4-methylperoxysulfanylphenyl)furan-3-one CAS Name: 4-[3-(3-chlorophenyl)-5,5-diethyl-4-oxo-2-furanyl]benzenesulfenic acid methoxy ester IUPAC Name: 4-(3-chlorophenyl)-2,2-diethyl-5-(4-methylperoxysulfanylphenyl)furan-3-one Traditional Name: 4-(3-chlorophenyl)-2,2-diethyl-5-[4-(methylperoxythio)phenyl]furan-3-one Formula: C21H21ClO4S MolecularWeight: 404.90704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)SOOC)C3=CC(=CC=C3)Cl)CC

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)SOOC)C3=CC(=CC=C3)Cl)CC

InChI

InChI=1S/C21H21ClO4S/c1-4-21(5-2)20(23)18(15-7-6-8-16(22)13-15)19(25-21)14-9-11-17(12-10-14)27-26-24-3/h6-13H,4-5H2,1-3H3