(4-cyanophenyl) 3-fluoranyl-4-(5-nonyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-(5-nonyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-nonyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C27H32FNO4 MolecularWeight: 453.545683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C27H32FNO4/c1-2-3-4-5-6-7-8-9-21-18-31-27(32-19-21)24-15-12-22(16-25(24)28)26(30)33-23-13-10-20(17-29)11-14-23/h10-16,21,27H,2-9,18-19H2,1H3