(4-heptylphenyl) 2-fluoranyl-4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (4-heptylphenyl) 2-fluoranyl-4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-heptylphenyl) 2-fluoro-4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 2-fluoro-4-(3-fluoro-4-octoxyphenyl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-fluoro-4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(3-fluoro-4-octoxy-phenyl)benzoic acid (4-heptylphenyl) ester Formula: C34H42F2O3 MolecularWeight: 536.692286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F)F

InChI

InChI=1S/C34H42F2O3/c1-3-5-7-9-11-13-23-38-33-22-18-28(25-32(33)36)27-17-21-30(31(35)24-27)34(37)39-29-19-15-26(16-20-29)14-12-10-8-6-4-2/h15-22,24-25H,3-14,23H2,1-2H3