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

Systemtic Name: (4-ethylphenyl) 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-ethylphenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-ethylphenyl) ester Formula: C27H35FO4 MolecularWeight: 442.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)F

InChI

InChI=1S/C27H35FO4/c1-3-5-6-7-8-9-10-21-18-30-27(31-19-21)24-16-13-22(17-25(24)28)26(29)32-23-14-11-20(4-2)12-15-23/h11-17,21,27H,3-10,18-19H2,1-2H3