2-ethanoyl-5-[2-(4-methylphenyl)sulfanylethyl]cyclohexane-1,3-dione

Systemtic Name: 2-ethanoyl-5-[2-(4-methylphenyl)sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[2-(p-tolylsulfanyl)ethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[2-[(4-methylphenyl)thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[2-(4-methylphenyl)sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[2-(p-tolylthio)ethyl]cyclohexane-1,3-quinone Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2CC(=O)C(C(=O)C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2CC(=O)C(C(=O)C2)C(=O)C

InChI

InChI=1S/C17H20O3S/c1-11-3-5-14(6-4-11)21-8-7-13-9-15(19)17(12(2)18)16(20)10-13/h3-6,13,17H,7-10H2,1-2H3