(E)-1-(2-phenylsulfanylethoxy)pent-3-en-2-one

Systemtic Name: (E)-1-(2-phenylsulfanylethoxy)pent-3-en-2-one Openeye Name: (E)-1-(2-phenylsulfanylethoxy)pent-3-en-2-one CAS Name: (E)-1-[2-(phenylthio)ethoxy]-3-penten-2-one IUPAC Name: (E)-1-(2-phenylsulfanylethoxy)pent-3-en-2-one Traditional Name: (E)-1-[2-(phenylthio)ethoxy]pent-3-en-2-one Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)COCCSC1=CC=CC=C1

Isomeric SMILES

C/C=C/C(=O)COCCSC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-2-6-12(14)11-15-9-10-16-13-7-4-3-5-8-13/h2-8H,9-11H2,1H3/b6-2+