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

Systemtic Name: sodium 8-[4,5-bis(4-chlorophenyl)-1-phenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[4,5-bis(4-chlorophenyl)-1-phenyl-imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[4,5-bis(4-chlorophenyl)-1-phenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[4,5-bis(4-chlorophenyl)-1-phenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[4,5-bis(4-chlorophenyl)-1-phenyl-imidazol-2-yl]oxycaprylate Formula: C29H27Cl2N2NaO3 MolecularWeight: 545.43205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.[Na+]

InChI

InChI=1S/C29H28Cl2N2O3.Na/c30-23-16-12-21(13-17-23)27-28(22-14-18-24(31)19-15-22)33(25-9-5-4-6-10-25)29(32-27)36-20-8-3-1-2-7-11-26(34)35;/h4-6,9-10,12-19H,1-3,7-8,11,20H2,(H,34,35);/q;+1/p-1