(E)-1-phenyl-3-[4-propylsulfanyl-3,5-di(tridecoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,5-di(tridecoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,5-di(tridecoxy)phenyl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-3,5-di(tridecoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,5-di(tridecoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,5-di(tridecoxy)phenyl]prop-2-en-1-one Formula: C44H70O3S MolecularWeight: 679.0898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(=CC(=C1SCCC)OCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C44H70O3S/c1-4-7-9-11-13-15-17-19-21-23-28-34-46-42-37-39(32-33-41(45)40-30-26-25-27-31-40)38-43(44(42)48-36-6-3)47-35-29-24-22-20-18-16-14-12-10-8-5-2/h25-27,30-33,37-38H,4-24,28-29,34-36H2,1-3H3/b33-32+