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

Systemtic Name: (E)-3-(3-hexyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-hexyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-hexyl-4-(methylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-hexyl-4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-hexyl-4-(methylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C22H26OS MolecularWeight: 338.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C22H26OS/c1-3-4-5-7-12-20-17-18(14-16-22(20)24-2)13-15-21(23)19-10-8-6-9-11-19/h6,8-11,13-17H,3-5,7,12H2,1-2H3/b15-13+