2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]ethanoic acid Openeye Name: 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid CAS Name: 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid IUPAC Name: 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid Traditional Name: 2-[2-methyl-4-(triflylamino)phenyl]acetic acid Formula: C10H10F3NO4S MolecularWeight: 297.25091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C(F)(F)F)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C10H10F3NO4S/c1-6-4-8(3-2-7(6)5-9(15)16)14-19(17,18)10(11,12)13/h2-4,14H,5H2,1H3,(H,15,16)