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

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-(4-octadecoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)phenyl]-1-(4-stearyloxyphenyl)prop-2-en-1-one Formula: C34H50O2S MolecularWeight: 522.8246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C34H50O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-36-32-24-22-31(23-25-32)34(35)28-21-30-19-26-33(37-2)27-20-30/h19-28H,3-18,29H2,1-2H3/b28-21+