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

Systemtic Name: (E)-3-(4-methylsulfanyl-3-octyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanyl-3-octyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)-3-octylphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanyl-3-octylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)-3-octyl-phenyl]-1-phenyl-prop-2-en-1-one Formula: C24H30OS MolecularWeight: 366.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C24H30OS/c1-3-4-5-6-7-9-14-22-19-20(16-18-24(22)26-2)15-17-23(25)21-12-10-8-11-13-21/h8,10-13,15-19H,3-7,9,14H2,1-2H3/b17-15+