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

Systemtic Name: (4-octylphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-octylphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-(5-butyl-1,3-dioxan-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)-3-fluoro-benzoic acid (4-octylphenyl) ester Formula: C29H39FO4 MolecularWeight: 470.615963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39FO4/c1-3-5-7-8-9-10-12-22-13-16-25(17-14-22)34-28(31)24-15-18-26(27(30)19-24)29-32-20-23(21-33-29)11-6-4-2/h13-19,23,29H,3-12,20-21H2,1-2H3