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

Systemtic Name: (E)-3-[4-butylsulfanyl-3,4-di(icosoxy)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-butylsulfanyl-3,4-di(icosoxy)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-3,4-di(eicosoxy)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-butylsulfanyl-3,4-di(icosoxy)cyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-diarachyloxy-4-(butylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C59H102O3S MolecularWeight: 891.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H102O3S/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-51-61-58-54-55(47-48-57(60)56-45-41-40-42-46-56)49-50-59(58,63-53-9-6-3)62-52-44-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h40-42,45-50,54-55H,4-39,43-44,51-53H2,1-3H3/b48-47+