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

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-nonylpyridin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-nonyl-2-pyridyl)benzoate CAS Name: 4-(5-nonyl-2-pyridinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-nonylpyridin-2-yl)benzoate Traditional Name: 4-(5-nonyl-2-pyridyl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C28H38F3NO3 MolecularWeight: 493.60143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38F3NO3/c1-3-5-7-8-9-10-11-12-22-13-18-25(32-20-22)23-14-16-24(17-15-23)27(33)35-26(28(29,30)31)21-34-19-6-4-2/h13-18,20,26H,3-12,19,21H2,1-2H3