(E)-3-(3-hexoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-hexoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-hexoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-hexoxy-4-(methylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-hexoxy-4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-hexoxy-4-(methylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C22H26O2S MolecularWeight: 354.50564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C22H26O2S/c1-3-4-5-9-16-24-21-17-18(13-15-22(21)25-2)12-14-20(23)19-10-7-6-8-11-19/h6-8,10-15,17H,3-5,9,16H2,1-2H3/b14-12+