sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid

Systemtic Name: sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid Openeye Name: sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid CAS Name: sodium 8-[(1,4,5-triphenyl-2-imidazolyl)oxy]octanoic acid IUPAC Name: sodium 8-(1,4,5-triphenylimidazol-2-yl)oxyoctanoic acid Traditional Name: sodium 8-(1,4,5-triphenylimidazol-2-yl)oxycaprylic acid Formula: C29H30N2NaO3+ MolecularWeight: 477.54987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3.Na/c32-26(33)21-13-2-1-3-14-22-34-29-30-27(23-15-7-4-8-16-23)28(24-17-9-5-10-18-24)31(29)25-19-11-6-12-20-25;/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33);/q;+1