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

Systemtic Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-tridodecoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-tridodecoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-tridodecoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-propylsulfanylphenyl)-3-(3,4,5-tridodecoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(propylthio)phenyl]-3-(3,4,5-trilauryloxyphenyl)prop-2-en-1-one Formula: C54H90O4S MolecularWeight: 835.355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C=CC(=O)C2=CC=C(C=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)/C=C/C(=O)C2=CC=C(C=C2)SCCC

InChI

InChI=1S/C54H90O4S/c1-5-9-12-15-18-21-24-27-30-33-42-56-52-46-48(36-41-51(55)49-37-39-50(40-38-49)59-45-8-4)47-53(57-43-34-31-28-25-22-19-16-13-10-6-2)54(52)58-44-35-32-29-26-23-20-17-14-11-7-3/h36-41,46-47H,5-35,42-45H2,1-4H3/b41-36+