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

Systemtic Name: [4-(4-heptylphenyl)phenyl] 2-fluoranyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 2-fluoro-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-fluoro-1,3-dioxane-5-carboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C29H39FO4 MolecularWeight: 470.615963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3COC(OC3)(CCCCC)F

InChI

InChI=1S/C29H39FO4/c1-3-5-7-8-9-11-23-12-14-24(15-13-23)25-16-18-27(19-17-25)34-28(31)26-21-32-29(30,33-22-26)20-10-6-4-2/h12-19,26H,3-11,20-22H2,1-2H3