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

Systemtic Name: heptyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: heptyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid heptyl ester IUPAC Name: heptyl 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid heptyl ester Formula: C22H33FO4 MolecularWeight: 380.493423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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