8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanyloctanoic acid

Systemtic Name: 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanyloctanoic acid Openeye Name: 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanyloctanoic acid CAS Name: 8-[[1,4,5-tris(4-chlorophenyl)-2-imidazolyl]thio]octanoic acid IUPAC Name: 8-[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]sulfanyloctanoic acid Traditional Name: 8-[[1,4,5-tris(4-chlorophenyl)imidazol-2-yl]thio]caprylic acid Formula: C29H27Cl3N2O2S MolecularWeight: 573.96088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N(C(=N2)SCCCCCCCC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(N(C(=N2)SCCCCCCCC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H27Cl3N2O2S/c30-22-11-7-20(8-12-22)27-28(21-9-13-23(31)14-10-21)34(25-17-15-24(32)16-18-25)29(33-27)37-19-5-3-1-2-4-6-26(35)36/h7-18H,1-6,19H2,(H,35,36)