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

Systemtic Name: [4-(2-fluoranyl-4-octoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: [4-(2-fluoro-4-octoxy-phenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-pentyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2-fluoro-4-octoxyphenyl)phenyl] 2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-1,3-dioxane-5-carboxylic acid [4-(2-fluoro-4-octoxy-phenyl)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/c1-3-5-7-8-9-11-19-33-26-17-18-27(28(31)20-26)23-13-15-25(16-14-23)36-30(32)24-21-34-29(35-22-24)12-10-6-4-2/h13-18,20,24,29H,3-12,19,21-22H2,1-2H3