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

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]oxolan-2-one Openeye Name: 4-[methylsulfanyl(p-tolylsulfonyl)methyl]tetrahydrofuran-2-one CAS Name: 4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxolanone IUPAC Name: 4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]oxolan-2-one Traditional Name: 4-[(methylthio)-tosyl-methyl]tetrahydrofuran-2-one Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2CC(=O)OC2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2CC(=O)OC2)SC

InChI

InChI=1S/C13H16O4S2/c1-9-3-5-11(6-4-9)19(15,16)13(18-2)10-7-12(14)17-8-10/h3-6,10,13H,7-8H2,1-2H3