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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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