sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate

Systemtic Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate Openeye Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate CAS Name: sodium 6-[(1,4,5-triphenyl-2-imidazolyl)oxy]hexanoate IUPAC Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate Traditional Name: sodium 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate Formula: C27H25N2NaO3 MolecularWeight: 448.48877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3.Na/c30-24(31)19-11-4-12-20-32-27-28-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)29(27)23-17-9-3-10-18-23;/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,30,31);/q;+1/p-1