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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC=CC(=O)C

Isomeric SMILES

CC1=CC=CC=C1SCC/C=C/C(=O)C

InChI

InChI=1S/C13H16OS/c1-11-7-3-4-9-13(11)15-10-6-5-8-12(2)14/h3-5,7-9H,6,10H2,1-2H3/b8-5+