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

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-pentylphenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid (4-amylphenyl) ester Formula: C21H31FO4 MolecularWeight: 366.466843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2COC(OC2)(CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2COC(OC2)(CCCCC)F

InChI

InChI=1S/C21H31FO4/c1-3-5-7-9-17-10-12-19(13-11-17)26-20(23)18-15-24-21(22,25-16-18)14-8-6-4-2/h10-13,18H,3-9,14-16H2,1-2H3