1-(4-chlorophenyl)-3,3-dimethyl-5-(4-methylsulfanylphenyl)pentane-1,5-dione

Systemtic Name: 1-(4-chlorophenyl)-3,3-dimethyl-5-(4-methylsulfanylphenyl)pentane-1,5-dione Openeye Name: 1-(4-chlorophenyl)-3,3-dimethyl-5-(4-methylsulfanylphenyl)pentane-1,5-dione CAS Name: 1-(4-chlorophenyl)-3,3-dimethyl-5-[4-(methylthio)phenyl]pentane-1,5-dione IUPAC Name: 1-(4-chlorophenyl)-3,3-dimethyl-5-(4-methylsulfanylphenyl)pentane-1,5-dione Traditional Name: 1-(4-chlorophenyl)-3,3-dimethyl-5-[4-(methylthio)phenyl]pentane-1,5-dione Formula: C20H21ClO2S MolecularWeight: 360.89754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=C(C=C1)SC)CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CC(=O)C1=CC=C(C=C1)SC)CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO2S/c1-20(2,12-18(22)14-4-8-16(21)9-5-14)13-19(23)15-6-10-17(24-3)11-7-15/h4-11H,12-13H2,1-3H3