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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCC)F

InChI

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