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

Systemtic Name: (4-butylphenyl) 4-(5-ethyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-butylphenyl) 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-butylphenyl) ester IUPAC Name: (4-butylphenyl) 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-butylphenyl) ester Formula: C23H27FO4 MolecularWeight: 386.456483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CC)F

InChI

InChI=1S/C23H27FO4/c1-3-5-6-17-7-10-19(11-8-17)28-22(25)18-9-12-20(21(24)13-18)23-26-14-16(4-2)15-27-23/h7-13,16,23H,3-6,14-15H2,1-2H3