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

Systemtic Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylpropyl]cyclohexane-1,3-dione Openeye Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylpropyl]cyclohexane-1,3-dione CAS Name: 2-(1-oxopropyl)-5-[2-[[4-(trifluoromethyl)phenyl]thio]propyl]cyclohexane-1,3-dione IUPAC Name: 2-propanoyl-5-[2-[4-(trifluoromethyl)phenyl]sulfanylpropyl]cyclohexane-1,3-dione Traditional Name: 2-propionyl-5-[2-[[4-(trifluoromethyl)phenyl]thio]propyl]cyclohexane-1,3-quinone Formula: C19H21F3O3S MolecularWeight: 386.42845

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CC(CC1=O)CC(C)SC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(=O)C1C(=O)CC(CC1=O)CC(C)SC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H21F3O3S/c1-3-15(23)18-16(24)9-12(10-17(18)25)8-11(2)26-14-6-4-13(5-7-14)19(20,21)22/h4-7,11-12,18H,3,8-10H2,1-2H3