(E)-5-(2,5-dimethylphenyl)sulfanylhept-3-en-2-one

Systemtic Name: (E)-5-(2,5-dimethylphenyl)sulfanylhept-3-en-2-one Openeye Name: (E)-5-(2,5-dimethylphenyl)sulfanylhept-3-en-2-one CAS Name: (E)-5-[(2,5-dimethylphenyl)thio]-3-hepten-2-one IUPAC Name: (E)-5-(2,5-dimethylphenyl)sulfanylhept-3-en-2-one Traditional Name: (E)-5-[(2,5-dimethylphenyl)thio]hept-3-en-2-one Formula: C15H20OS MolecularWeight: 248.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(=O)C)SC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(/C=C/C(=O)C)SC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C15H20OS/c1-5-14(9-8-13(4)16)17-15-10-11(2)6-7-12(15)3/h6-10,14H,5H2,1-4H3/b9-8+