1-methylsulfanyl-4-(phenylsulfonyl)pentan-3-one

Systemtic Name: 1-methylsulfanyl-4-(phenylsulfonyl)pentan-3-one Openeye Name: 4-(benzenesulfonyl)-1-methylsulfanyl-pentan-3-one CAS Name: 4-(benzenesulfonyl)-1-(methylthio)-3-pentanone IUPAC Name: 4-(benzenesulfonyl)-1-methylsulfanylpentan-3-one Traditional Name: 4-besyl-1-(methylthio)pentan-3-one Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCSC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)CCSC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H16O3S2/c1-10(12(13)8-9-16-2)17(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3