8-[4,5-bis(4-fluorophenyl)-1-phenyl-imidazol-2-yl]sulfanyloctanoic acid

Systemtic Name: 8-[4,5-bis(4-fluorophenyl)-1-phenyl-imidazol-2-yl]sulfanyloctanoic acid Openeye Name: 8-[4,5-bis(4-fluorophenyl)-1-phenyl-imidazol-2-yl]sulfanyloctanoic acid CAS Name: 8-[[4,5-bis(4-fluorophenyl)-1-phenyl-2-imidazolyl]thio]octanoic acid IUPAC Name: 8-[4,5-bis(4-fluorophenyl)-1-phenylimidazol-2-yl]sulfanyloctanoic acid Traditional Name: 8-[[4,5-bis(4-fluorophenyl)-1-phenyl-imidazol-2-yl]thio]caprylic acid Formula: C29H28F2N2O2S MolecularWeight: 506.606626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=C2SCCCCCCCC(=O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=C2SCCCCCCCC(=O)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H28F2N2O2S/c30-23-16-12-21(13-17-23)27-28(22-14-18-24(31)19-15-22)33(25-9-5-4-6-10-25)29(32-27)36-20-8-3-1-2-7-11-26(34)35/h4-6,9-10,12-19H,1-3,7-8,11,20H2,(H,34,35)