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

Systemtic Name: (4-pentylphenyl) 3-fluoranyl-4-(5-propyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-pentylphenyl) 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-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 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-amylphenyl) ester Formula: C25H31FO4 MolecularWeight: 414.509643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

InChI

InChI=1S/C25H31FO4/c1-3-5-6-8-18-9-12-21(13-10-18)30-24(27)20-11-14-22(23(26)15-20)25-28-16-19(7-4-2)17-29-25/h9-15,19,25H,3-8,16-17H2,1-2H3