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

Systemtic Name: 8-[4,5-diphenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanyloctanoic acid Openeye Name: 8-[4,5-diphenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanyloctanoic acid CAS Name: 8-[[4,5-diphenyl-1-[4-(trifluoromethyl)phenyl]-2-imidazolyl]thio]octanoic acid IUPAC Name: 8-[4,5-diphenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanyloctanoic acid Traditional Name: 8-[[4,5-diphenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]thio]caprylic acid Formula: C30H29F3N2O2S MolecularWeight: 538.62367

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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=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H29F3N2O2S/c31-30(32,33)24-17-19-25(20-18-24)35-28(23-14-8-5-9-15-23)27(22-12-6-4-7-13-22)34-29(35)38-21-11-3-1-2-10-16-26(36)37/h4-9,12-15,17-20H,1-3,10-11,16,21H2,(H,36,37)