2-methyl-1-(4-methylsulfonylphenyl)-2-oxidanyl-pentan-1-one

Systemtic Name: 2-methyl-1-(4-methylsulfonylphenyl)-2-oxidanyl-pentan-1-one Openeye Name: 2-hydroxy-2-methyl-1-(4-methylsulfonylphenyl)pentan-1-one CAS Name: 2-hydroxy-2-methyl-1-(4-methylsulfonylphenyl)-1-pentanone IUPAC Name: 2-hydroxy-2-methyl-1-(4-methylsulfonylphenyl)pentan-1-one Traditional Name: 2-hydroxy-1-(4-mesylphenyl)-2-methyl-pentan-1-one Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-4-9-13(2,15)12(14)10-5-7-11(8-6-10)18(3,16)17/h5-8,15H,4,9H2,1-3H3