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

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

Systemtic Name:hexyl 3-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)benzoate
Openeye Name:hexyl 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate
CAS Name:3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid hexyl ester
IUPAC Name:hexyl 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate
Traditional Name:4-(5-amyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid hexyl ester
Formula: C22H33FO4
MolecularWeight: 380.493423
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCC)F


Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCCC)F


InChI

InChI=1S/C22H33FO4/c1-3-5-7-9-13-25-21(24)18-11-12-19(20(23)14-18)22-26-15-17(16-27-22)10-8-6-4-2/h11-12,14,17,22H,3-10,13,15-16H2,1-2H3


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