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

Systemtic Name: (E)-3-[5-icosoxy-4,5-bis(octylsulfanyl)cyclohexa-1,3-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[5-icosoxy-4,5-bis(octylsulfanyl)cyclohexa-1,3-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[5-eicosoxy-4,5-bis(octylthio)-1-cyclohexa-1,3-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[5-icosoxy-4,5-bis(octylsulfanyl)cyclohexa-1,3-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[5-arachyloxy-4,5-bis(octylthio)cyclohexa-1,3-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C51H86O2S2 MolecularWeight: 795.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC1(CC(=CC=C1SCCCCCCCC)C=CC(=O)C2=CC=CC=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC1(CC(=CC=C1SCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2)SCCCCCCCC

InChI

InChI=1S/C51H86O2S2/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-26-27-28-34-43-53-51(55-45-36-30-15-12-9-6-3)46-47(39-41-49(52)48-37-32-31-33-38-48)40-42-50(51)54-44-35-29-14-11-8-5-2/h31-33,37-42H,4-30,34-36,43-46H2,1-3H3/b41-39+