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

Systemtic Name: sodium 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[1,4,5-tris(4-chlorophenyl)-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]oxycaprylate Formula: C29H26Cl3N2NaO3 MolecularWeight: 579.87711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl.[Na+]

InChI

InChI=1S/C29H27Cl3N2O3.Na/c30-22-11-7-20(8-12-22)27-28(21-9-13-23(31)14-10-21)34(25-17-15-24(32)16-18-25)29(33-27)37-19-5-3-1-2-4-6-26(35)36;/h7-18H,1-6,19H2,(H,35,36);/q;+1/p-1