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

Systemtic Name: pentyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: pentyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid pentyl ester IUPAC Name: pentyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid amyl ester Formula: C20H29FO4 MolecularWeight: 352.440263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCC)F

Isomeric SMILES

CCCCCOC(=O)C1=CC(=C(C=C1)C2OCC(CO2)CCCC)F

InChI

InChI=1S/C20H29FO4/c1-3-5-7-11-23-19(22)16-9-10-17(18(21)12-16)20-24-13-15(14-25-20)8-6-4-2/h9-10,12,15,20H,3-8,11,13-14H2,1-2H3