(E)-3-(3,5-dioctadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dioctadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dioctadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dioctadecoxyphenyl)-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dioctadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-distearyloxyphenyl)-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C54H90O3S MolecularWeight: 819.3556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H90O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-56-51-46-49(37-42-54(55)50-38-40-53(41-39-50)58-45-6-3)47-52(48-51)57-44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-42,46-48H,4-36,43-45H2,1-3H3/b42-37+