2-[[4-(trifluoromethyloxy)phenyl]methylsulfonyl]propanoic acid

Systemtic Name: 2-[[4-(trifluoromethyloxy)phenyl]methylsulfonyl]propanoic acid Openeye Name: 2-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propanoic acid CAS Name: 2-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propanoic acid IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propanoic acid Traditional Name: 2-[4-(trifluoromethoxy)benzyl]sulfonylpropionic acid Formula: C11H11F3O5S MolecularWeight: 312.26225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C11H11F3O5S/c1-7(10(15)16)20(17,18)6-8-2-4-9(5-3-8)19-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)