(4-octoxyphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C32H45FO5 MolecularWeight: 528.695103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3OCC(CO3)CCCCCCC)F

InChI

InChI=1S/C32H45FO5/c1-3-5-7-9-11-13-21-35-27-16-18-28(19-17-27)38-31(34)26-15-20-29(30(33)22-26)32-36-23-25(24-37-32)14-12-10-8-6-4-2/h15-20,22,25,32H,3-14,21,23-24H2,1-2H3