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

Systemtic Name: (E)-3-[4-icosoxy-3,4,5-tris(octylsulfanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-icosoxy-3,4,5-tris(octylsulfanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-eicosoxy-3,4,5-tris(octylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-icosoxy-3,4,5-tris(octylsulfanyl)cyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-arachyloxy-3,4,5-tris(octylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C59H102O2S3 MolecularWeight: 939.63498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H102O2S3/c1-5-9-13-17-21-22-23-24-25-26-27-28-29-30-31-32-33-40-48-61-59(64-51-43-36-20-16-12-8-4)57(62-49-41-34-18-14-10-6-2)52-54(46-47-56(60)55-44-38-37-39-45-55)53-58(59)63-50-42-35-19-15-11-7-3/h37-39,44-47,52-54H,5-36,40-43,48-51H2,1-4H3/b47-46+