3-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one

Systemtic Name: 3-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one Openeye Name: 5-hydroxy-3-methyl-1-phenylsulfanyl-pentan-2-one CAS Name: 5-hydroxy-3-methyl-1-(phenylthio)-2-pentanone IUPAC Name: 5-hydroxy-3-methyl-1-phenylsulfanylpentan-2-one Traditional Name: 5-hydroxy-3-methyl-1-(phenylthio)pentan-2-one Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-10(7-8-13)12(14)9-15-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3