(E)-4,4-dimethyl-1-(4-methylsulfanylphenyl)pent-1-en-3-one

Systemtic Name: (E)-4,4-dimethyl-1-(4-methylsulfanylphenyl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-(4-methylsulfanylphenyl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-[4-(methylthio)phenyl]-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-(4-methylsulfanylphenyl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-[4-(methylthio)phenyl]pent-1-en-3-one Formula: C14H18OS MolecularWeight: 234.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18OS/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-10H,1-4H3/b10-7+