6-(3-chlorophenyl)sulfanyl-5-methyl-4-oxidanyl-hexan-2-one

Systemtic Name: 6-(3-chlorophenyl)sulfanyl-5-methyl-4-oxidanyl-hexan-2-one Openeye Name: 6-(3-chlorophenyl)sulfanyl-4-hydroxy-5-methyl-hexan-2-one CAS Name: 6-[(3-chlorophenyl)thio]-4-hydroxy-5-methyl-2-hexanone IUPAC Name: 6-(3-chlorophenyl)sulfanyl-4-hydroxy-5-methylhexan-2-one Traditional Name: 6-[(3-chlorophenyl)thio]-4-hydroxy-5-methyl-hexan-2-one Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC(=CC=C1)Cl)C(CC(=O)C)O

Isomeric SMILES

CC(CSC1=CC(=CC=C1)Cl)C(CC(=O)C)O

InChI

InChI=1S/C13H17ClO2S/c1-9(13(16)6-10(2)15)8-17-12-5-3-4-11(14)7-12/h3-5,7,9,13,16H,6,8H2,1-2H3