4-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-keto-butyric acid Formula: C12H8F6O3 MolecularWeight: 314.180539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F6O3/c13-11(14,15)7-3-6(9(19)1-2-10(20)21)4-8(5-7)12(16,17)18/h3-5H,1-2H2,(H,20,21)