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

Systemtic Name: 4-(5-decylpyridin-2-yl)-2-(2-fluoranylhexanoyl)phenolate Openeye Name: 4-(5-decyl-2-pyridyl)-2-(2-fluorohexanoyl)phenolate CAS Name: 4-(5-decyl-2-pyridinyl)-2-(2-fluoro-1-oxohexyl)phenolate IUPAC Name: 4-(5-decylpyridin-2-yl)-2-(2-fluorohexanoyl)phenolate Traditional Name: 4-(5-decyl-2-pyridyl)-2-(2-fluorohexanoyl)phenolate Formula: C27H37FNO2- MolecularWeight: 426.586583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)[O-])C(=O)C(CCCC)F

InChI

InChI=1S/C27H38FNO2/c1-3-5-7-8-9-10-11-12-13-21-15-17-25(29-20-21)22-16-18-26(30)23(19-22)27(31)24(28)14-6-4-2/h15-20,24,30H,3-14H2,1-2H3/p-1