2,2-diethyl-4-methyl-5-phenylsulfanyl-3H-pyran-6-one

Systemtic Name: 2,2-diethyl-4-methyl-5-phenylsulfanyl-3H-pyran-6-one Openeye Name: 2,2-diethyl-4-methyl-5-phenylsulfanyl-3H-pyran-6-one CAS Name: 2,2-diethyl-4-methyl-5-(phenylthio)-3H-pyran-6-one IUPAC Name: 2,2-diethyl-4-methyl-5-phenylsulfanyl-3H-pyran-6-one Traditional Name: 2,2-diethyl-4-methyl-5-(phenylthio)-3H-pyran-6-one Formula: C16H20O2S MolecularWeight: 276.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=C(C(=O)O1)SC2=CC=CC=C2)C)CC

Isomeric SMILES

CCC1(CC(=C(C(=O)O1)SC2=CC=CC=C2)C)CC

InChI

InChI=1S/C16H20O2S/c1-4-16(5-2)11-12(3)14(15(17)18-16)19-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3