(E)-3-(3,4-dioctadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H90O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-56-53-44-38-49(37-43-52(55)50-39-41-51(42-40-50)58-47-6-3)48-54(53)57-46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h37-44,48H,4-36,45-47H2,1-3H3/b43-37+