(2S)-5-[3-[2-chloranyl-4-[2,2,2-tris(fluoranyl)ethyl]phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: (2S)-5-[3-[2-chloranyl-4-[2,2,2-tris(fluoranyl)ethyl]phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: (2S)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: (2S)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: (2S)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: (2S)-5-[3-[2-chloro-4-(2,2,2-trifluoroethyl)phenoxy]propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C22H22ClF3O5 MolecularWeight: 458.85529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)CC(F)(F)F)Cl)C(=O)O

Isomeric SMILES

CC[C@]1(CC2=C(O1)C=CC(=C2)OCCCOC3=C(C=C(C=C3)CC(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/m0/s1