(E,4R,5S)-4,6-dimethyl-5-oxidanyl-1-(phenylsulfonyl)hept-1-en-3-one

Systemtic Name: (E,4R,5S)-4,6-dimethyl-5-oxidanyl-1-(phenylsulfonyl)hept-1-en-3-one Openeye Name: (E,4R,5S)-1-(benzenesulfonyl)-5-hydroxy-4,6-dimethyl-hept-1-en-3-one CAS Name: (E,4R,5S)-1-(benzenesulfonyl)-5-hydroxy-4,6-dimethyl-1-hepten-3-one IUPAC Name: (E,4R,5S)-1-(benzenesulfonyl)-5-hydroxy-4,6-dimethylhept-1-en-3-one Traditional Name: (E,4R,5S)-1-besyl-5-hydroxy-4,6-dimethyl-hept-1-en-3-one Formula: C15H20O4S MolecularWeight: 296.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C(=O)C=CS(=O)(=O)C1=CC=CC=C1)O

Isomeric SMILES

C[C@H]([C@H](C(C)C)O)C(=O)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20O4S/c1-11(2)15(17)12(3)14(16)9-10-20(18,19)13-7-5-4-6-8-13/h4-12,15,17H,1-3H3/b10-9+/t12-,15-/m0/s1