1-(2-fluoranylhexanoyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexan-1-olate

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-nonyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 1-(2-fluorohexanoyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanolate Formula: C32H45FNO2- MolecularWeight: 494.703603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C32H45FNO2/c1-3-5-7-8-9-10-11-12-25-14-19-30(34-24-25)28-17-15-26(16-18-28)27-20-22-32(36,23-21-27)31(35)29(33)13-6-4-2/h14-19,24,27,29H,3-13,20-23H2,1-2H3/q-1