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

Systemtic Name: (4-hexylphenyl) 3-fluoranyl-4-(5-propyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-hexylphenyl) 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-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 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-hexylphenyl) ester Formula: C26H33FO4 MolecularWeight: 428.536223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

InChI

InChI=1S/C26H33FO4/c1-3-5-6-7-9-19-10-13-22(14-11-19)31-25(28)21-12-15-23(24(27)16-21)26-29-17-20(8-4-2)18-30-26/h10-16,20,26H,3-9,17-18H2,1-2H3