3-oxidanyl-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione

Systemtic Name: 3-oxidanyl-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione Openeye Name: 3-hydroxy-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione CAS Name: 3-hydroxy-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione IUPAC Name: 3-hydroxy-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione Traditional Name: 3-hydroxy-3-[4-(trifluoromethyl)phenyl]hexane-2,5-dione Formula: C13H13F3O3 MolecularWeight: 274.23573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=C(C=C1)C(F)(F)F)(C(=O)C)O

Isomeric SMILES

CC(=O)CC(C1=CC=C(C=C1)C(F)(F)F)(C(=O)C)O

InChI

InChI=1S/C13H13F3O3/c1-8(17)7-12(19,9(2)18)10-3-5-11(6-4-10)13(14,15)16/h3-6,19H,7H2,1-2H3