(E)-3-(3-octadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-octadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-octadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-octadecoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-octadecoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3-stearyloxy-phenyl]prop-2-en-1-one Formula: C36H54O2S MolecularWeight: 550.87776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H54O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-38-35-31-32(26-28-36(35)39-30-4-2)25-27-34(37)33-23-20-19-21-24-33/h19-21,23-28,31H,3-18,22,29-30H2,1-2H3/b27-25+