1-(6-methyl-4-methylsulfanyl-6-methylsulfonyl-cyclohexa-2,4-dien-1-yl)propan-1-one

Systemtic Name: 1-(6-methyl-4-methylsulfanyl-6-methylsulfonyl-cyclohexa-2,4-dien-1-yl)propan-1-one Openeye Name: 1-(6-methyl-4-methylsulfanyl-6-methylsulfonyl-cyclohexa-2,4-dien-1-yl)propan-1-one CAS Name: 1-[6-methyl-6-methylsulfonyl-4-(methylthio)-1-cyclohexa-2,4-dienyl]-1-propanone IUPAC Name: 1-(6-methyl-4-methylsulfanyl-6-methylsulfonylcyclohexa-2,4-dien-1-yl)propan-1-one Traditional Name: 1-[6-mesyl-6-methyl-4-(methylthio)cyclohexa-2,4-dien-1-yl]propan-1-one Formula: C12H18O3S2 MolecularWeight: 274.39952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C=CC(=CC1(C)S(=O)(=O)C)SC

Isomeric SMILES

CCC(=O)C1C=CC(=CC1(C)S(=O)(=O)C)SC

InChI

InChI=1S/C12H18O3S2/c1-5-11(13)10-7-6-9(16-3)8-12(10,2)17(4,14)15/h6-8,10H,5H2,1-4H3