5-(1-methylsulfanylcyclohexyl)cyclohexane-1,3-dione

Systemtic Name: 5-(1-methylsulfanylcyclohexyl)cyclohexane-1,3-dione Openeye Name: 5-(1-methylsulfanylcyclohexyl)cyclohexane-1,3-dione CAS Name: 5-[1-(methylthio)cyclohexyl]cyclohexane-1,3-dione IUPAC Name: 5-(1-methylsulfanylcyclohexyl)cyclohexane-1,3-dione Traditional Name: 5-[1-(methylthio)cyclohexyl]cyclohexane-1,3-quinone Formula: C13H20O2S MolecularWeight: 240.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(CCCCC1)C2CC(=O)CC(=O)C2

Isomeric SMILES

CSC1(CCCCC1)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C13H20O2S/c1-16-13(5-3-2-4-6-13)10-7-11(14)9-12(15)8-10/h10H,2-9H2,1H3