[2,5,6-tris(fluoranyl)pyridin-3-yl] 4-butylbenzoate

Systemtic Name: [2,5,6-tris(fluoranyl)pyridin-3-yl] 4-butylbenzoate Openeye Name: (2,5,6-trifluoro-3-pyridyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (2,5,6-trifluoro-3-pyridinyl) ester IUPAC Name: (2,5,6-trifluoropyridin-3-yl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (2,5,6-trifluoro-3-pyridyl) ester Formula: C16H14F3NO2 MolecularWeight: 309.28307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(N=C2F)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(N=C2F)F)F

InChI

InChI=1S/C16H14F3NO2/c1-2-3-4-10-5-7-11(8-6-10)16(21)22-13-9-12(17)14(18)20-15(13)19/h5-9H,2-4H2,1H3