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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-octoxyphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C30H41FO5 MolecularWeight: 500.641943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

InChI

InChI=1S/C30H41FO5/c1-3-5-7-8-9-11-21-33-27-16-12-24(13-17-27)25-14-18-28(19-15-25)36-29(32)26-22-34-30(31,35-23-26)20-10-6-4-2/h12-19,26H,3-11,20-23H2,1-2H3