1-(4-methylsulfanylphenyl)octane-1,3-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)octane-1,3-dione Openeye Name: 1-(4-methylsulfanylphenyl)octane-1,3-dione CAS Name: 1-[4-(methylthio)phenyl]octane-1,3-dione IUPAC Name: 1-(4-methylsulfanylphenyl)octane-1,3-dione Traditional Name: 1-[4-(methylthio)phenyl]octane-1,3-dione Formula: C15H20O2S MolecularWeight: 264.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O2S/c1-3-4-5-6-13(16)11-15(17)12-7-9-14(18-2)10-8-12/h7-10H,3-6,11H2,1-2H3