(4-butylphenyl) 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-butylphenyl) 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butylphenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester Formula: C20H29FO4 MolecularWeight: 352.440263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCCC)F

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCCC)F

InChI

InChI=1S/C20H29FO4/c1-3-5-7-13-20(21)23-14-17(15-24-20)19(22)25-18-11-9-16(10-12-18)8-6-4-2/h9-12,17H,3-8,13-15H2,1-2H3