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

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

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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/c1-3-5-7-8-10-11-22-13-18-26(27(30)19-22)23-14-16-25(17-15-23)34-29(31)24-20-32-28(33-21-24)12-9-6-4-2/h13-19,24,28H,3-12,20-21H2,1-2H3