sodium 8-[1-(3,4-dimethoxyphenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate

Systemtic Name: sodium 8-[1-(3,4-dimethoxyphenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[1-(3,4-dimethoxyphenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[1-(3,4-dimethoxyphenyl)-4,5-diphenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[1-(3,4-dimethoxyphenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[1-(3,4-dimethoxyphenyl)-4,5-diphenyl-imidazol-2-yl]oxycaprylate Formula: C31H33N2NaO5 MolecularWeight: 536.59389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4)OC.[Na+]

InChI

InChI=1S/C31H34N2O5.Na/c1-36-26-20-19-25(22-27(26)37-2)33-30(24-16-10-7-11-17-24)29(23-14-8-6-9-15-23)32-31(33)38-21-13-5-3-4-12-18-28(34)35;/h6-11,14-17,19-20,22H,3-5,12-13,18,21H2,1-2H3,(H,34,35);/q;+1/p-1