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

Systemtic Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trihexadecoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trihexadecoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-trihexadecoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-trihexadecoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-tricetyloxyphenyl)prop-2-en-1-one Formula: C66H114O4S MolecularWeight: 1003.67396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C=CC(=O)C2=CC=C(C=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=C(C=C2)SCCC

InChI

InChI=1S/C66H114O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-54-68-64-58-60(48-53-63(67)61-49-51-62(52-50-61)71-57-8-4)59-65(69-55-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)66(64)70-56-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h48-53,58-59H,5-47,54-57H2,1-4H3/b53-48+