(E)-5,5-bis(methylsulfanyl)-1-phenyl-pent-1-en-3-one

Systemtic Name: (E)-5,5-bis(methylsulfanyl)-1-phenyl-pent-1-en-3-one Openeye Name: (E)-5,5-bis(methylsulfanyl)-1-phenyl-pent-1-en-3-one CAS Name: (E)-5,5-bis(methylthio)-1-phenyl-1-penten-3-one IUPAC Name: (E)-5,5-bis(methylsulfanyl)-1-phenylpent-1-en-3-one Traditional Name: (E)-5,5-bis(methylthio)-1-phenyl-pent-1-en-3-one Formula: C13H16OS2 MolecularWeight: 252.39554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16OS2/c1-15-13(16-2)10-12(14)9-8-11-6-4-3-5-7-11/h3-9,13H,10H2,1-2H3/b9-8+