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

Systemtic Name: [4-(4-butylphenyl)phenyl] 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-butylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-butylphenyl)phenyl] ester IUPAC Name: [4-(4-butylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid [4-(4-butylphenyl)phenyl] ester Formula: C26H33FO4 MolecularWeight: 428.536223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C26H33FO4/c1-3-5-7-17-26(27)29-18-23(19-30-26)25(28)31-24-15-13-22(14-16-24)21-11-9-20(10-12-21)8-6-4-2/h9-16,23H,3-8,17-19H2,1-2H3