(E)-6-(4-methylsulfanylphenyl)hex-5-ene-2,4-dione

Systemtic Name: (E)-6-(4-methylsulfanylphenyl)hex-5-ene-2,4-dione Openeye Name: (E)-6-(4-methylsulfanylphenyl)hex-5-ene-2,4-dione CAS Name: (E)-6-[4-(methylthio)phenyl]-5-hexene-2,4-dione IUPAC Name: (E)-6-(4-methylsulfanylphenyl)hex-5-ene-2,4-dione Traditional Name: (E)-6-[4-(methylthio)phenyl]hex-5-ene-2,4-dione Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O2S/c1-10(14)9-12(15)6-3-11-4-7-13(16-2)8-5-11/h3-8H,9H2,1-2H3/b6-3+