2,2-dimethyl-5-(phenylsulfonyl)-3H-pyran-4-one

Systemtic Name: 2,2-dimethyl-5-(phenylsulfonyl)-3H-pyran-4-one Openeye Name: 5-(benzenesulfonyl)-2,2-dimethyl-3H-pyran-4-one CAS Name: 5-(benzenesulfonyl)-2,2-dimethyl-3H-pyran-4-one IUPAC Name: 5-(benzenesulfonyl)-2,2-dimethyl-3H-pyran-4-one Traditional Name: 5-besyl-2,2-dimethyl-3H-pyran-4-one Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CO1)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(=CO1)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H14O4S/c1-13(2)8-11(14)12(9-17-13)18(15,16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3