(E)-3-(3-hexadecoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-hexadecoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-hexadecoxy-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-hexadecoxy-4-(methylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-hexadecoxy-4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-cetyloxy-4-(methylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C32H46O2S MolecularWeight: 494.77144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C32H46O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-34-31-27-28(23-25-32(31)35-2)22-24-30(33)29-20-17-16-18-21-29/h16-18,20-25,27H,3-15,19,26H2,1-2H3/b24-22+