2-butanoyl-5-[2-[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-[2-[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione CAS Name: 5-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]thio]ethyl]-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C19H20F4O3S MolecularWeight: 404.418913

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)CCSC2=CC(=C(C=C2)F)C(F)(F)F

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)CCSC2=CC(=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C19H20F4O3S/c1-2-3-15(24)18-16(25)8-11(9-17(18)26)6-7-27-12-4-5-14(20)13(10-12)19(21,22)23/h4-5,10-11,18H,2-3,6-9H2,1H3