1-(4-chloranylphenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one CAS Name: 1-(4-chlorophenoxy)-4-mercapto-3,3-dimethyl-2-butanone IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-4-sulfanylbutan-2-one Traditional Name: 1-(4-chlorophenoxy)-4-mercapto-3,3-dimethyl-butan-2-one Formula: C12H15ClO2S MolecularWeight: 258.7643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)COC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(CS)C(=O)COC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClO2S/c1-12(2,8-16)11(14)7-15-10-5-3-9(13)4-6-10/h3-6,16H,7-8H2,1-2H3