1-[4-(oxan-4-ylsulfanyl)phenyl]ethanone

Systemtic Name: 1-[4-(oxan-4-ylsulfanyl)phenyl]ethanone Openeye Name: 1-(4-tetrahydropyran-4-ylsulfanylphenyl)ethanone CAS Name: 1-[4-(4-oxanylthio)phenyl]ethanone IUPAC Name: 1-[4-(oxan-4-ylsulfanyl)phenyl]ethanone Traditional Name: 1-[4-(tetrahydropyran-4-ylthio)phenyl]ethanone Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2CCOCC2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2CCOCC2

InChI

InChI=1S/C13H16O2S/c1-10(14)11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13H,6-9H2,1H3