(E)-5-phenylsulfanylhept-3-en-2-one

Systemtic Name: (E)-5-phenylsulfanylhept-3-en-2-one Openeye Name: (E)-5-phenylsulfanylhept-3-en-2-one CAS Name: (E)-5-(phenylthio)-3-hepten-2-one IUPAC Name: (E)-5-phenylsulfanylhept-3-en-2-one Traditional Name: (E)-5-(phenylthio)hept-3-en-2-one Formula: C13H16OS MolecularWeight: 220.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS/c1-3-12(10-9-11(2)14)15-13-7-5-4-6-8-13/h4-10,12H,3H2,1-2H3/b10-9+