(4-octoxyphenyl) 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C33H47FO5 MolecularWeight: 542.721683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C33H47FO5/c1-3-5-7-9-11-13-15-26-24-37-33(38-25-26)30-21-16-27(23-31(30)34)32(35)39-29-19-17-28(18-20-29)36-22-14-12-10-8-6-4-2/h16-21,23,26,33H,3-15,22,24-25H2,1-2H3