(E)-6-oxidanyl-7-(phenylsulfonyl)hept-6-en-2-one

Systemtic Name: (E)-6-oxidanyl-7-(phenylsulfonyl)hept-6-en-2-one Openeye Name: (E)-7-(benzenesulfonyl)-6-hydroxy-hept-6-en-2-one CAS Name: (E)-7-(benzenesulfonyl)-6-hydroxy-6-hepten-2-one IUPAC Name: (E)-7-(benzenesulfonyl)-6-hydroxyhept-6-en-2-one Traditional Name: (E)-7-besyl-6-hydroxy-hept-6-en-2-one Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(=CS(=O)(=O)C1=CC=CC=C1)O

Isomeric SMILES

CC(=O)CCC/C(=C\S(=O)(=O)C1=CC=CC=C1)/O

InChI

InChI=1S/C13H16O4S/c1-11(14)6-5-7-12(15)10-18(16,17)13-8-3-2-4-9-13/h2-4,8-10,15H,5-7H2,1H3/b12-10+