(E)-3-(4-butylsulfanyl-3,5-dioctadecoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-butylsulfanyl-3,5-dioctadecoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butylsulfanyl-3,5-dioctadecoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(butylthio)-3,5-dioctadecoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butylsulfanyl-3,5-dioctadecoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(butylthio)-3,5-distearyloxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C55H92O3S MolecularWeight: 833.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC)OCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC)OCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C55H92O3S/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-39-45-57-53-48-50(43-44-52(56)51-41-37-36-38-42-51)49-54(55(53)59-47-9-6-3)58-46-40-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h36-38,41-44,48-49H,4-35,39-40,45-47H2,1-3H3/b44-43+