(E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trioctadecoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trioctadecoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trioctadecoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-trioctadecoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trioctadecoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-tristearyloxyphenyl)prop-2-en-1-one Formula: C72H126O4S MolecularWeight: 1087.83344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=C(C=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=C(C=C2)SCCC

InChI

InChI=1S/C72H126O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-60-74-70-64-66(54-59-69(73)67-55-57-68(58-56-67)77-63-8-4)65-71(75-61-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)72(70)76-62-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h54-59,64-65H,5-53,60-63H2,1-4H3/b59-54+