(Z)-3-(phenylmethylsulfanyl)hex-3-en-2-one

Systemtic Name: (Z)-3-(phenylmethylsulfanyl)hex-3-en-2-one Openeye Name: (Z)-3-benzylsulfanylhex-3-en-2-one CAS Name: (Z)-3-(phenylmethylthio)-3-hexen-2-one IUPAC Name: (Z)-3-benzylsulfanylhex-3-en-2-one Traditional Name: (Z)-3-(benzylthio)hex-3-en-2-one Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)C)SCC1=CC=CC=C1

Isomeric SMILES

CC/C=C(/C(=O)C)\SCC1=CC=CC=C1

InChI

InChI=1S/C13H16OS/c1-3-7-13(11(2)14)15-10-12-8-5-4-6-9-12/h4-9H,3,10H2,1-2H3/b13-7-