(E)-3-(3-octoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-octoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-octoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-octoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-octoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-octoxy-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C26H34O2S MolecularWeight: 410.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C26H34O2S/c1-3-5-6-7-8-12-19-28-25-21-22(16-18-26(25)29-20-4-2)15-17-24(27)23-13-10-9-11-14-23/h9-11,13-18,21H,3-8,12,19-20H2,1-2H3/b17-15+