sodium 8-[1-(2-fluorophenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate

Systemtic Name: sodium 8-[1-(2-fluorophenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[1-(2-fluorophenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[1-(2-fluorophenyl)-4,5-diphenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[1-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[1-(2-fluorophenyl)-4,5-diphenyl-imidazol-2-yl]oxycaprylate Formula: C29H28FN2NaO3 MolecularWeight: 494.532393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3F)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3F)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C29H29FN2O3.Na/c30-24-18-11-12-19-25(24)32-28(23-16-8-5-9-17-23)27(22-14-6-4-7-15-22)31-29(32)35-21-13-3-1-2-10-20-26(33)34;/h4-9,11-12,14-19H,1-3,10,13,20-21H2,(H,33,34);/q;+1/p-1