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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-pentylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid [4-(4-amylphenyl)phenyl] ester Formula: C27H35FO4 MolecularWeight: 442.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

InChI

InChI=1S/C27H35FO4/c1-3-5-7-9-21-10-12-22(13-11-21)23-14-16-25(17-15-23)32-26(29)24-19-30-27(28,31-20-24)18-8-6-4-2/h10-17,24H,3-9,18-20H2,1-2H3