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

Systemtic Name: 2-ethanoyl-5-[1-[4-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]cyclohexane-1,3-dione Openeye Name: 2-acetyl-5-[1-methyl-2-[4-(trifluoromethyl)phenyl]sulfanyl-ethyl]cyclohexane-1,3-dione CAS Name: 2-acetyl-5-[1-[[4-(trifluoromethyl)phenyl]thio]propan-2-yl]cyclohexane-1,3-dione IUPAC Name: 2-acetyl-5-[1-[4-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]cyclohexane-1,3-dione Traditional Name: 2-acetyl-5-[1-methyl-2-[[4-(trifluoromethyl)phenyl]thio]ethyl]cyclohexane-1,3-quinone Formula: C18H19F3O3S MolecularWeight: 372.40187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)C(F)(F)F)C2CC(=O)C(C(=O)C2)C(=O)C

Isomeric SMILES

CC(CSC1=CC=C(C=C1)C(F)(F)F)C2CC(=O)C(C(=O)C2)C(=O)C

InChI

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