5-[3-[2-chloranyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[3-[2-chloranyl-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: 5-[3-[2-chloro-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid CAS Name: 5-[3-[2-chloro-4-(trifluoromethylthio)phenoxy]propoxy]-2-ethyl-3H-benzofuran-2-carboxylic acid IUPAC Name: 5-[3-[2-chloro-4-(trifluoromethylsulfanyl)phenoxy]propoxy]-2-ethyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: 5-[3-[2-chloro-4-(trifluoromethylthio)phenoxy]propoxy]-2-ethyl-coumaran-2-carboxylic acid Formula: C21H20ClF3O5S MolecularWeight: 476.89371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClF3O5S/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)30-20)28-8-3-9-29-18-7-5-15(11-16(18)22)31-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)