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

Systemtic Name: (E)-6-(2-methylphenyl)sulfanylhept-3-en-2-one Openeye Name: (E)-6-(o-tolylsulfanyl)hept-3-en-2-one CAS Name: (E)-6-[(2-methylphenyl)thio]-3-hepten-2-one IUPAC Name: (E)-6-(2-methylphenyl)sulfanylhept-3-en-2-one Traditional Name: (E)-6-(o-tolylthio)hept-3-en-2-one Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(C)CC=CC(=O)C

Isomeric SMILES

CC1=CC=CC=C1SC(C)C/C=C/C(=O)C

InChI

InChI=1S/C14H18OS/c1-11-7-4-5-10-14(11)16-13(3)9-6-8-12(2)15/h4-8,10,13H,9H2,1-3H3/b8-6+