6-(phenylmethylsulfanyl)hexane-2,4-dione

Systemtic Name: 6-(phenylmethylsulfanyl)hexane-2,4-dione Openeye Name: 6-benzylsulfanylhexane-2,4-dione CAS Name: 6-(phenylmethylthio)hexane-2,4-dione IUPAC Name: 6-benzylsulfanylhexane-2,4-dione Traditional Name: 6-(benzylthio)hexane-2,4-dione Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)CCSCC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)CCSCC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-11(14)9-13(15)7-8-16-10-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3