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

Systemtic Name: sodium 8-[1-(4-methylphenyl)-4,5-diphenyl-imidazol-2-yl]oxyoctanoate Openeye Name: sodium 8-[4,5-diphenyl-1-(p-tolyl)imidazol-2-yl]oxyoctanoate CAS Name: sodium 8-[[1-(4-methylphenyl)-4,5-diphenyl-2-imidazolyl]oxy]octanoate IUPAC Name: sodium 8-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]oxyoctanoate Traditional Name: sodium 8-[4,5-diphenyl-1-(p-tolyl)imidazol-2-yl]oxycaprylate Formula: C30H31N2NaO3 MolecularWeight: 490.56851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=C2OCCCCCCCC(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C30H32N2O3.Na/c1-23-18-20-26(21-19-23)32-29(25-15-9-6-10-16-25)28(24-13-7-5-8-14-24)31-30(32)35-22-12-4-2-3-11-17-27(33)34;/h5-10,13-16,18-21H,2-4,11-12,17,22H2,1H3,(H,33,34);/q;+1/p-1