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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O2S/c1-2-3-4-14-21-25(28(32)33)34-29-30-26(22-15-8-5-9-16-22)27(23-17-10-6-11-18-23)31(29)24-19-12-7-13-20-24/h5-13,15-20,25H,2-4,14,21H2,1H3,(H,32,33)