2-cyanoethanoic acid; 2,2,2-tris(chloranyl)ethanoic acid

Systemtic Name: 2-cyanoethanoic acid; 2,2,2-tris(chloranyl)ethanoic acid Openeye Name: 2-cyanoacetic acid; 2,2,2-trichloroacetic acid CAS Name: 2-cyanoacetic acid; 2,2,2-trichloroacetic acid IUPAC Name: 2-cyanoacetic acid; 2,2,2-trichloroacetic acid Traditional Name: 2-cyanoacetic acid; 2,2,2-trichloroacetic acid Formula: C5H4Cl3NO4 MolecularWeight: 248.44856

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)C(=O)O.C(=O)(C(Cl)(Cl)Cl)O

Isomeric SMILES

C(C#N)C(=O)O.C(=O)(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C3H3NO2.C2HCl3O2/c4-2-1-3(5)6;3-2(4,5)1(6)7/h1H2,(H,5,6);(H,6,7)