6-(2-methylphenyl)sulfanyl-4-oxidanyl-heptan-2-one

Systemtic Name: 6-(2-methylphenyl)sulfanyl-4-oxidanyl-heptan-2-one Openeye Name: 4-hydroxy-6-(o-tolylsulfanyl)heptan-2-one CAS Name: 4-hydroxy-6-[(2-methylphenyl)thio]-2-heptanone IUPAC Name: 4-hydroxy-6-(2-methylphenyl)sulfanylheptan-2-one Traditional Name: 4-hydroxy-6-(o-tolylthio)heptan-2-one Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(C)CC(CC(=O)C)O

Isomeric SMILES

CC1=CC=CC=C1SC(C)CC(CC(=O)C)O

InChI

InChI=1S/C14H20O2S/c1-10-6-4-5-7-14(10)17-12(3)9-13(16)8-11(2)15/h4-7,12-13,16H,8-9H2,1-3H3