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

Systemtic Name: 2-ethanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[2-[[4-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[2-[[4-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C17H17F3O3S MolecularWeight: 358.37529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3O3S/c1-10(21)16-14(22)8-11(9-15(16)23)6-7-24-13-4-2-12(3-5-13)17(18,19)20/h2-5,11,16H,6-9H2,1H3