(4-octylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-octylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-octylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-octylphenyl) ester Formula: C27H35FO4 MolecularWeight: 442.562803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

InChI

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