(E)-3-(3-octadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H54O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-38-34-22-20-21-32(31-34)23-28-36(37)33-24-26-35(27-25-33)39-30-4-2/h20-28,31H,3-19,29-30H2,1-2H3/b28-23+