(2E)-3-ethyl-1-(4-methylsulfanylphenyl)-2-propylidene-octan-1-one

Systemtic Name: (2E)-3-ethyl-1-(4-methylsulfanylphenyl)-2-propylidene-octan-1-one Openeye Name: (2E)-3-ethyl-1-(4-methylsulfanylphenyl)-2-propylidene-octan-1-one CAS Name: (2E)-3-ethyl-1-[4-(methylthio)phenyl]-2-propylidene-1-octanone IUPAC Name: (2E)-3-ethyl-1-(4-methylsulfanylphenyl)-2-propylideneoctan-1-one Traditional Name: (E)-2-(1-ethylhexyl)-1-[4-(methylthio)phenyl]pent-2-en-1-one Formula: C20H30OS MolecularWeight: 318.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(=CCC)C(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCC(CC)/C(=C\CC)/C(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C20H30OS/c1-5-8-9-11-16(7-3)19(10-6-2)20(21)17-12-14-18(22-4)15-13-17/h10,12-16H,5-9,11H2,1-4H3/b19-10+