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

Systemtic Name: (E)-3-(3,5-dioctadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-dioctadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-dioctadecoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,5-dioctadecoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,5-distearyloxy-phenyl]prop-2-en-1-one Formula: C54H90O3S MolecularWeight: 819.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C54H90O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-44-56-52-47-49(42-43-51(55)50-40-36-35-37-41-50)48-53(54(52)58-46-6-3)57-45-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h35-37,40-43,47-48H,4-34,38-39,44-46H2,1-3H3/b43-42+