(E)-4-oxidanyl-3-(1-phenylsulfanylethyl)pent-3-en-2-one

Systemtic Name: (E)-4-oxidanyl-3-(1-phenylsulfanylethyl)pent-3-en-2-one Openeye Name: (E)-4-hydroxy-3-(1-phenylsulfanylethyl)pent-3-en-2-one CAS Name: (E)-4-hydroxy-3-[1-(phenylthio)ethyl]-3-penten-2-one IUPAC Name: (E)-4-hydroxy-3-(1-phenylsulfanylethyl)pent-3-en-2-one Traditional Name: (E)-4-hydroxy-3-[1-(phenylthio)ethyl]pent-3-en-2-one Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(C)O)C(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CC(/C(=C(\C)/O)/C(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-9(14)13(10(2)15)11(3)16-12-7-5-4-6-8-12/h4-8,11,14H,1-3H3/b13-9+