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

Systemtic Name: (E)-3-(3-dodecyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-dodecyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-dodecyl-4-(methylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-dodecyl-4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-lauryl-4-(methylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C28H38OS MolecularWeight: 422.66572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C28H38OS/c1-3-4-5-6-7-8-9-10-11-13-18-26-23-24(20-22-28(26)30-2)19-21-27(29)25-16-14-12-15-17-25/h12,14-17,19-23H,3-11,13,18H2,1-2H3/b21-19+