5-[2-(4-methylphenyl)sulfanylpropan-2-yl]-2-propanoyl-cyclohexane-1,3-dione

Systemtic Name: 5-[2-(4-methylphenyl)sulfanylpropan-2-yl]-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-[1-methyl-1-(p-tolylsulfanyl)ethyl]-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-[2-[(4-methylphenyl)thio]propan-2-yl]-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-[2-(4-methylphenyl)sulfanylpropan-2-yl]-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-[1-methyl-1-(p-tolylthio)ethyl]-2-propionyl-cyclohexane-1,3-quinone Formula: C19H24O3S MolecularWeight: 332.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)C(C)(C)SC2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)C(C)(C)SC2=CC=C(C=C2)C

InChI

InChI=1S/C19H24O3S/c1-5-15(20)18-16(21)10-13(11-17(18)22)19(3,4)23-14-8-6-12(2)7-9-14/h6-9,13,18H,5,10-11H2,1-4H3