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

Systemtic Name: octyl 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: octyl 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid octyl ester IUPAC Name: octyl 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid octyl ester Formula: C26H41FO4 MolecularWeight: 436.599743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41FO4/c1-3-5-7-9-11-13-17-29-25(28)22-15-16-23(24(27)18-22)26-30-19-21(20-31-26)14-12-10-8-6-4-2/h15-16,18,21,26H,3-14,17,19-20H2,1-2H3