[4-(3-fluoranyl-4-octoxy-phenyl)phenyl] hexanoate

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] hexanoate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] hexanoate CAS Name: hexanoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] hexanoate Traditional Name: hexanoic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C26H35FO3 MolecularWeight: 414.552703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCC)F

InChI

InChI=1S/C26H35FO3/c1-3-5-7-8-9-11-19-29-25-18-15-22(20-24(25)27)21-13-16-23(17-14-21)30-26(28)12-10-6-4-2/h13-18,20H,3-12,19H2,1-2H3