6-methylsulfanyl-5-(phenylsulfonyl)hept-6-en-2-one

Systemtic Name: 6-methylsulfanyl-5-(phenylsulfonyl)hept-6-en-2-one Openeye Name: 5-(benzenesulfonyl)-6-methylsulfanyl-hept-6-en-2-one CAS Name: 5-(benzenesulfonyl)-6-(methylthio)-6-hepten-2-one IUPAC Name: 5-(benzenesulfonyl)-6-methylsulfanylhept-6-en-2-one Traditional Name: 5-besyl-6-(methylthio)hept-6-en-2-one Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C(=C)SC)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CCC(C(=C)SC)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O3S2/c1-11(15)9-10-14(12(2)18-3)19(16,17)13-7-5-4-6-8-13/h4-8,14H,2,9-10H2,1,3H3