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

Systemtic Name: sodium 8-[1-(4-chlorophenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[1-(4-chlorophenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[1-(4-chlorophenyl)-4,5-diphenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[1-(4-chlorophenyl)-4,5-diphenyl-imidazol-2-yl]oxycaprylate Formula: C29H28ClN2NaO3 MolecularWeight: 510.98699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN2O3.Na/c30-24-17-19-25(20-18-24)32-28(23-14-8-5-9-15-23)27(22-12-6-4-7-13-22)31-29(32)35-21-11-3-1-2-10-16-26(33)34;/h4-9,12-15,17-20H,1-3,10-11,16,21H2,(H,33,34);/q;+1/p-1