5-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]oxolan-2-one

Systemtic Name: 5-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]oxolan-2-one Openeye Name: 5-methyl-4-[methylsulfanyl(p-tolylsulfonyl)methyl]tetrahydrofuran-2-one CAS Name: 5-methyl-4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxolanone IUPAC Name: 5-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]oxolan-2-one Traditional Name: 5-methyl-4-[(methylthio)-tosyl-methyl]tetrahydrofuran-2-one Formula: C14H18O4S2 MolecularWeight: 314.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(=O)O1)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1C(CC(=O)O1)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H18O4S2/c1-9-4-6-11(7-5-9)20(16,17)14(19-3)12-8-13(15)18-10(12)2/h4-7,10,12,14H,8H2,1-3H3