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

Systemtic Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Openeye Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione CAS Name: 2-(1-oxopropyl)-5-[2-[[4-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-dione IUPAC Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylethyl]cyclohexane-1,3-dione Traditional Name: 2-propionyl-5-[2-[[4-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C18H19F3O3S MolecularWeight: 372.40187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3O3S/c1-2-14(22)17-15(23)9-11(10-16(17)24)7-8-25-13-5-3-12(4-6-13)18(19,20)21/h3-6,11,17H,2,7-10H2,1H3