2,2-dimethyl-5-(phenylsulfonylmethyl)furan-3-one

Systemtic Name: 2,2-dimethyl-5-(phenylsulfonylmethyl)furan-3-one Openeye Name: 5-(benzenesulfonylmethyl)-2,2-dimethyl-furan-3-one CAS Name: 5-(benzenesulfonylmethyl)-2,2-dimethyl-3-furanone IUPAC Name: 5-(benzenesulfonylmethyl)-2,2-dimethylfuran-3-one Traditional Name: 5-(besylmethyl)-2,2-dimethyl-furan-3-one Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C(=O)C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C

InChI

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