(E)-6-(4-methylphenyl)sulfanylhex-3-en-2-one

Systemtic Name: (E)-6-(4-methylphenyl)sulfanylhex-3-en-2-one Openeye Name: (E)-6-(p-tolylsulfanyl)hex-3-en-2-one CAS Name: (E)-6-[(4-methylphenyl)thio]-3-hexen-2-one IUPAC Name: (E)-6-(4-methylphenyl)sulfanylhex-3-en-2-one Traditional Name: (E)-6-(p-tolylthio)hex-3-en-2-one Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC=CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC/C=C/C(=O)C

InChI

InChI=1S/C13H16OS/c1-11-6-8-13(9-7-11)15-10-4-3-5-12(2)14/h3,5-9H,4,10H2,1-2H3/b5-3+