1-(4-methylsulfanylphenyl)hexane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)hexane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)hexane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]hexane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)hexane-1,4-dione Traditional Name: 1-[4-(methylthio)phenyl]hexane-1,4-dione Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CCC(=O)CCC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C13H16O2S/c1-3-11(14)6-9-13(15)10-4-7-12(16-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3