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

Systemtic Name: 5-[2-(4-chlorophenyl)sulfanylethyl]-2-ethanoyl-cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[2-(4-chlorophenyl)sulfanylethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[2-[(4-chlorophenyl)thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[2-(4-chlorophenyl)sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[2-[(4-chlorophenyl)thio]ethyl]cyclohexane-1,3-quinone Formula: C16H17ClO3S MolecularWeight: 324.82238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C1C(=O)CC(CC1=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClO3S/c1-10(18)16-14(19)8-11(9-15(16)20)6-7-21-13-4-2-12(17)3-5-13/h2-5,11,16H,6-9H2,1H3