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

Systemtic Name: 2-ethanoyl-5-[2-[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C17H16F4O3S MolecularWeight: 376.365753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F4O3S/c1-9(22)16-14(23)6-10(7-15(16)24)4-5-25-11-2-3-13(18)12(8-11)17(19,20)21/h2-3,8,10,16H,4-7H2,1H3