(E)-3-(4-pentadecylsulfanyl-2-pentyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-pentadecylsulfanyl-2-pentyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-pentadecylsulfanyl-2-pentyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(pentadecylthio)-2-pentylphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-pentadecylsulfanyl-2-pentylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[2-amyl-4-(pentadecylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C35H52OS MolecularWeight: 520.85178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=CC(=C(C=C1)C=CC(=O)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C35H52OS/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-29-37-34-27-25-31(33(30-34)24-18-6-4-2)26-28-35(36)32-22-19-17-20-23-32/h17,19-20,22-23,25-28,30H,3-16,18,21,24,29H2,1-2H3/b28-26+