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

Systemtic Name: (4-heptoxyphenyl) 3-fluoranyl-4-(5-propyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-heptoxyphenyl) 3-fluoro-4-(5-propyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 3-fluoro-4-(5-propyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-propyl-1,3-dioxan-2-yl)benzoic acid (4-heptoxyphenyl) ester Formula: C27H35FO5 MolecularWeight: 458.562203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO5/c1-3-5-6-7-8-16-30-22-11-13-23(14-12-22)33-26(29)21-10-15-24(25(28)17-21)27-31-18-20(9-4-2)19-32-27/h10-15,17,20,27H,3-9,16,18-19H2,1-2H3