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

Systemtic Name: [4-(2-fluoranyl-4-hexoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-fluoro-4-hexoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-hexoxyphenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-hexoxy-phenyl)phenyl] ester Formula: C28H37FO5 MolecularWeight: 472.588783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)CCCCC)F

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)CCCCC)F

InChI

InChI=1S/C28H37FO5/c1-3-5-7-9-17-31-24-15-16-25(26(29)18-24)21-11-13-23(14-12-21)34-28(30)22-19-32-27(33-20-22)10-8-6-4-2/h11-16,18,22,27H,3-10,17,19-20H2,1-2H3