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

Systemtic Name: 8-(1,4,5-triphenylimidazol-2-yl)sulfanyloctanoic acid Openeye Name: 8-(1,4,5-triphenylimidazol-2-yl)sulfanyloctanoic acid CAS Name: 8-[(1,4,5-triphenyl-2-imidazolyl)thio]octanoic acid IUPAC Name: 8-(1,4,5-triphenylimidazol-2-yl)sulfanyloctanoic acid Traditional Name: 8-[(1,4,5-triphenylimidazol-2-yl)thio]caprylic acid Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O2S/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)