(E)-3-[3,4-di(icosoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[3,4-di(icosoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[3,4-di(icosoxy)-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-di(eicosoxy)-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[3,4-di(icosoxy)-4-propylsulfanylcyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-diarachyloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C58H100O3S MolecularWeight: 877.4778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C58H100O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-50-60-57-53-54(46-47-56(59)55-44-40-39-41-45-55)48-49-58(57,62-52-6-3)61-51-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h39-41,44-49,53-54H,4-38,42-43,50-52H2,1-3H3/b47-46+