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

Systemtic Name: (4-octoxyphenyl) 3-fluoranyl-4-(5-hexyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 3-fluoro-4-(5-hexyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-hexyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-fluoro-4-(5-hexyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-hexyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C31H43FO5 MolecularWeight: 514.668523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCC)F

InChI

InChI=1S/C31H43FO5/c1-3-5-7-9-10-12-20-34-26-15-17-27(18-16-26)37-30(33)25-14-19-28(29(32)21-25)31-35-22-24(23-36-31)13-11-8-6-4-2/h14-19,21,24,31H,3-13,20,22-23H2,1-2H3