2-(2-fluoranylhexanoyl)-4-(5-octylpyridin-2-yl)phenolate

Systemtic Name: 2-(2-fluoranylhexanoyl)-4-(5-octylpyridin-2-yl)phenolate Openeye Name: 2-(2-fluorohexanoyl)-4-(5-octyl-2-pyridyl)phenolate CAS Name: 2-(2-fluoro-1-oxohexyl)-4-(5-octyl-2-pyridinyl)phenolate IUPAC Name: 2-(2-fluorohexanoyl)-4-(5-octylpyridin-2-yl)phenolate Traditional Name: 2-(2-fluorohexanoyl)-4-(5-octyl-2-pyridyl)phenolate Formula: C25H33FNO2- MolecularWeight: 398.533423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

InChI

InChI=1S/C25H34FNO2/c1-3-5-7-8-9-10-11-19-13-15-23(27-18-19)20-14-16-24(28)21(17-20)25(29)22(26)12-6-4-2/h13-18,22,28H,3-12H2,1-2H3/p-1