2-[6-(2,4,5-triphenylimidazol-1-yl)hexylsulfanyl]ethanoic acid

Systemtic Name: 2-[6-(2,4,5-triphenylimidazol-1-yl)hexylsulfanyl]ethanoic acid Openeye Name: 2-[6-(2,4,5-triphenylimidazol-1-yl)hexylsulfanyl]acetic acid CAS Name: 2-[6-(2,4,5-triphenyl-1-imidazolyl)hexylthio]acetic acid IUPAC Name: 2-[6-(2,4,5-triphenylimidazol-1-yl)hexylsulfanyl]acetic acid Traditional Name: 2-[6-(2,4,5-triphenylimidazol-1-yl)hexylthio]acetic 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)C3=CC=CC=C3)CCCCCCSCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O2S/c32-26(33)22-34-21-13-2-1-12-20-31-28(24-16-8-4-9-17-24)27(23-14-6-3-7-15-23)30-29(31)25-18-10-5-11-19-25/h3-11,14-19H,1-2,12-13,20-22H2,(H,32,33)