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

Systemtic Name: sodium 8-[4,5-bis(4-methoxyphenyl)-1-phenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[4,5-bis(4-methoxyphenyl)-1-phenyl-imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[4,5-bis(4-methoxyphenyl)-1-phenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[4,5-bis(4-methoxyphenyl)-1-phenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[4,5-bis(4-methoxyphenyl)-1-phenyl-imidazol-2-yl]oxycaprylate Formula: C31H33N2NaO5 MolecularWeight: 536.59389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=N2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Na+]

InChI

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