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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1OCC(CO1)C(=O)OC2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

InChI

InChI=1S/C26H33FO4/c1-3-5-7-9-25-29-17-21(18-30-25)26(28)31-22-13-11-20(12-14-22)23-15-10-19(8-6-4-2)16-24(23)27/h10-16,21,25H,3-9,17-18H2,1-2H3