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

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-pentyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-pentylphenyl) 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-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 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-amylphenyl) ester Formula: C27H35FO4 MolecularWeight: 442.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)F

InChI

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