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

Systemtic Name: 2-(2-fluoranylhexanoyl)-4-(5-nonylpyridin-2-yl)phenolate Openeye Name: 2-(2-fluorohexanoyl)-4-(5-nonyl-2-pyridyl)phenolate CAS Name: 2-(2-fluoro-1-oxohexyl)-4-(5-nonyl-2-pyridinyl)phenolate IUPAC Name: 2-(2-fluorohexanoyl)-4-(5-nonylpyridin-2-yl)phenolate Traditional Name: 2-(2-fluorohexanoyl)-4-(5-nonyl-2-pyridyl)phenolate Formula: C26H35FNO2- MolecularWeight: 412.560003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

InChI

InChI=1S/C26H36FNO2/c1-3-5-7-8-9-10-11-12-20-14-16-24(28-19-20)21-15-17-25(29)22(18-21)26(30)23(27)13-6-4-2/h14-19,23,29H,3-13H2,1-2H3/p-1