4,5,5-trimethyl-3-(phenylsulfonyl)furan-2-one

Systemtic Name: 4,5,5-trimethyl-3-(phenylsulfonyl)furan-2-one Openeye Name: 3-(benzenesulfonyl)-4,5,5-trimethyl-furan-2-one CAS Name: 3-(benzenesulfonyl)-4,5,5-trimethyl-2-furanone IUPAC Name: 3-(benzenesulfonyl)-4,5,5-trimethylfuran-2-one Traditional Name: 3-besyl-4,5,5-trimethyl-furan-2-one Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC1(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)OC1(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H14O4S/c1-9-11(12(14)17-13(9,2)3)18(15,16)10-7-5-4-6-8-10/h4-8H,1-3H3