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2-ethanoyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]hexanoic acid

2-ethanoyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]hexanoic acid

Systemtic Name:2-ethanoyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]hexanoic acid
Openeye Name:2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CAS Name:2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]hexanoic acid
IUPAC Name:2-acetyl-4-oxo-3-[2-(trifluoromethyl)phenyl]hexanoic acid
Traditional Name:2-acetyl-4-keto-3-[2-(trifluoromethyl)phenyl]hexanoic acid
Formula: C15H15F3O4
MolecularWeight: 316.27241
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1C(F)(F)F)C(C(=O)C)C(=O)O


Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1C(F)(F)F)C(C(=O)C)C(=O)O


InChI

InChI=1S/C15H15F3O4/c1-3-11(20)13(12(8(2)19)14(21)22)9-6-4-5-7-10(9)15(16,17)18/h4-7,12-13H,3H2,1-2H3,(H,21,22)


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