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

Systemtic Name: octyl 3-fluoranyl-4-(5-hexyl-1,3-dioxan-2-yl)benzoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C25H39FO4 MolecularWeight: 422.573163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCCC)F

InChI

InChI=1S/C25H39FO4/c1-3-5-7-9-10-12-16-28-24(27)21-14-15-22(23(26)17-21)25-29-18-20(19-30-25)13-11-8-6-4-2/h14-15,17,20,25H,3-13,16,18-19H2,1-2H3