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

Systemtic Name: (4-heptoxyphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate CAS Name: 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)-2-fluoro-benzoic acid (4-heptoxyphenyl) ester Formula: C29H39FO5 MolecularWeight: 486.615363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3OCC(CO3)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3OCC(CO3)CCCCC)F

InChI

InChI=1S/C29H39FO5/c1-3-5-7-8-10-18-32-24-13-15-25(16-14-24)35-28(31)26-17-12-23(19-27(26)30)29-33-20-22(21-34-29)11-9-6-4-2/h12-17,19,22,29H,3-11,18,20-21H2,1-2H3