3,3-dimethyl-1-(3-methylsulfonylphenoxy)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(3-methylsulfonylphenoxy)butan-2-one Openeye Name: 3,3-dimethyl-1-(3-methylsulfonylphenoxy)butan-2-one CAS Name: 3,3-dimethyl-1-(3-methylsulfonylphenoxy)-2-butanone IUPAC Name: 3,3-dimethyl-1-(3-methylsulfonylphenoxy)butan-2-one Traditional Name: 1-(3-mesylphenoxy)-3,3-dimethyl-butan-2-one Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC(=CC=C1)S(=O)(=O)C

InChI

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