1-(2-methyl-3-methylsulfanyl-4-methylsulfonyl-phenyl)propan-1-one

Systemtic Name: 1-(2-methyl-3-methylsulfanyl-4-methylsulfonyl-phenyl)propan-1-one Openeye Name: 1-(2-methyl-3-methylsulfanyl-4-methylsulfonyl-phenyl)propan-1-one CAS Name: 1-[2-methyl-4-methylsulfonyl-3-(methylthio)phenyl]-1-propanone IUPAC Name: 1-(2-methyl-3-methylsulfanyl-4-methylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-mesyl-2-methyl-3-(methylthio)phenyl]propan-1-one Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)SC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)SC)C

InChI

InChI=1S/C12H16O3S2/c1-5-10(13)9-6-7-11(17(4,14)15)12(16-3)8(9)2/h6-7H,5H2,1-4H3