3-(3-methylphenyl)-2-(trifluoromethylsulfonyloxy)propanoic acid

Systemtic Name: 3-(3-methylphenyl)-2-(trifluoromethylsulfonyloxy)propanoic acid Openeye Name: 3-(m-tolyl)-2-(trifluoromethylsulfonyloxy)propanoic acid CAS Name: 3-(3-methylphenyl)-2-(trifluoromethylsulfonyloxy)propanoic acid IUPAC Name: 3-(3-methylphenyl)-2-(trifluoromethylsulfonyloxy)propanoic acid Traditional Name: 3-(m-tolyl)-2-triflyloxy-propionic acid Formula: C11H11F3O5S MolecularWeight: 312.26225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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