(E)-6-(2,5-dimethylphenyl)sulfanylhex-3-en-2-one

Systemtic Name: (E)-6-(2,5-dimethylphenyl)sulfanylhex-3-en-2-one Openeye Name: (E)-6-(2,5-dimethylphenyl)sulfanylhex-3-en-2-one CAS Name: (E)-6-[(2,5-dimethylphenyl)thio]-3-hexen-2-one IUPAC Name: (E)-6-(2,5-dimethylphenyl)sulfanylhex-3-en-2-one Traditional Name: (E)-6-[(2,5-dimethylphenyl)thio]hex-3-en-2-one Formula: C14H18OS MolecularWeight: 234.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18OS/c1-11-7-8-12(2)14(10-11)16-9-5-4-6-13(3)15/h4,6-8,10H,5,9H2,1-3H3/b6-4+