[1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-nonylpyridin-2-yl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-propoxy-propan-2-yl] 4-(5-nonylpyridin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(propoxymethyl)ethyl] 4-(5-nonyl-2-pyridyl)benzoate CAS Name: 4-(5-nonyl-2-pyridinyl)benzoic acid (1,1,1-trifluoro-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-propoxypropan-2-yl) 4-(5-nonylpyridin-2-yl)benzoate Traditional Name: 4-(5-nonyl-2-pyridyl)benzoic acid [2,2,2-trifluoro-1-(propoxymethyl)ethyl] ester Formula: C27H36F3NO3 MolecularWeight: 479.57485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC(COCCC)C(F)(F)F

InChI

InChI=1S/C27H36F3NO3/c1-3-5-6-7-8-9-10-11-21-12-17-24(31-19-21)22-13-15-23(16-14-22)26(32)34-25(27(28,29)30)20-33-18-4-2/h12-17,19,25H,3-11,18,20H2,1-2H3