3-[2-(2-chloranyl-4-ethylsulfonyl-phenoxy)-4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-chloranyl-4-ethylsulfonyl-phenoxy)-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-chloro-4-ethylsulfonyl-phenoxy)-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-chloro-4-ethylsulfonylphenoxy)-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-chloro-4-ethylsulfonylphenoxy)-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-chloro-4-esyl-phenoxy)-4-(trifluoromethyl)phenyl]propionic acid Formula: C18H16ClF3O5S MolecularWeight: 436.82985

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)C(F)(F)F)CCC(=O)O)Cl

InChI

InChI=1S/C18H16ClF3O5S/c1-2-28(25,26)13-6-7-15(14(19)10-13)27-16-9-12(18(20,21)22)5-3-11(16)4-8-17(23)24/h3,5-7,9-10H,2,4,8H2,1H3,(H,23,24)