6-methyl-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-methyl-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-methyl-pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-methyl-pyran-4-one Formula: C13H12O3S MolecularWeight: 248.29758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)SCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)SCC2=CC=CC=C2

InChI

InChI=1S/C13H12O3S/c1-9-7-11(14)12(13(15)16-9)17-8-10-5-3-2-4-6-10/h2-7,15H,8H2,1H3