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

Systemtic Name: 5-[2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylethyl]-2-propanoyl-cyclohexane-1,3-dione Openeye Name: 5-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylethyl]-2-propanoyl-cyclohexane-1,3-dione CAS Name: 5-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]ethyl]-2-(1-oxopropyl)cyclohexane-1,3-dione IUPAC Name: 5-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylethyl]-2-propanoylcyclohexane-1,3-dione Traditional Name: 5-[2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]ethyl]-2-propionyl-cyclohexane-1,3-quinone Formula: C18H18ClF3O3S MolecularWeight: 406.84693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF3O3S/c1-2-14(23)17-15(24)7-10(8-16(17)25)5-6-26-11-3-4-13(19)12(9-11)18(20,21)22/h3-4,9-10,17H,2,5-8H2,1H3