5-oxidanyl-1-phenylsulfanyl-hexan-2-one

Systemtic Name: 5-oxidanyl-1-phenylsulfanyl-hexan-2-one Openeye Name: 5-hydroxy-1-phenylsulfanyl-hexan-2-one CAS Name: 5-hydroxy-1-(phenylthio)-2-hexanone IUPAC Name: 5-hydroxy-1-phenylsulfanylhexan-2-one Traditional Name: 5-hydroxy-1-(phenylthio)hexan-2-one Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)CSC1=CC=CC=C1)O

Isomeric SMILES

CC(CCC(=O)CSC1=CC=CC=C1)O

InChI

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