(2-hexylphenyl) 2-[4-(2-fluoranylhexadecoxy)phenyl]benzoate

Systemtic Name: (2-hexylphenyl) 2-[4-(2-fluoranylhexadecoxy)phenyl]benzoate Openeye Name: (2-hexylphenyl) 2-[4-(2-fluorohexadecoxy)phenyl]benzoate CAS Name: 2-[4-(2-fluorohexadecoxy)phenyl]benzoic acid (2-hexylphenyl) ester IUPAC Name: (2-hexylphenyl) 2-[4-(2-fluorohexadecoxy)phenyl]benzoate Traditional Name: 2-[4-(2-fluorohexadecoxy)phenyl]benzoic acid (2-hexylphenyl) ester Formula: C41H57FO3 MolecularWeight: 616.887883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=CC=C3CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCCCC(COC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC3=CC=CC=C3CCCCCC)F

InChI

InChI=1S/C41H57FO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-25-36(42)33-44-37-31-29-34(30-32-37)38-26-20-21-27-39(38)41(43)45-40-28-22-19-24-35(40)23-17-8-6-4-2/h19-22,24,26-32,36H,3-18,23,25,33H2,1-2H3