2-hexyl-3-[2,2,2-tris(fluoranyl)ethanoyl]benzoate

Systemtic Name: 2-hexyl-3-[2,2,2-tris(fluoranyl)ethanoyl]benzoate Openeye Name: 2-hexyl-3-(2,2,2-trifluoroacetyl)benzoate CAS Name: 2-hexyl-3-(2,2,2-trifluoro-1-oxoethyl)benzoate IUPAC Name: 2-hexyl-3-(2,2,2-trifluoroacetyl)benzoate Traditional Name: 2-hexyl-3-(2,2,2-trifluoroacetyl)benzoate Formula: C15H16F3O3- MolecularWeight: 301.28095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC=C1C(=O)[O-])C(=O)C(F)(F)F

Isomeric SMILES

CCCCCCC1=C(C=CC=C1C(=O)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C15H17F3O3/c1-2-3-4-5-7-10-11(13(19)15(16,17)18)8-6-9-12(10)14(20)21/h6,8-9H,2-5,7H2,1H3,(H,20,21)/p-1