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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-36-32-21-19-20-31(29-32)34(35)27-24-30-22-25-33(37-2)26-23-30/h19-27,29H,3-18,28H2,1-2H3/b27-24+