2,4,5,6-tetradeuteriopyridine-3-carboxylic acid

Systemtic Name: 2,4,5,6-tetradeuteriopyridine-3-carboxylic acid Openeye Name: 2,4,5,6-tetradeuteriopyridine-3-carboxylic acid CAS Name: 2,4,5,6-tetradeuterio-3-pyridinecarboxylic acid IUPAC Name: 2,4,5,6-tetradeuteriopyridine-3-carboxylic acid Traditional Name: 2,4,5,6-tetradeuterionicotinic acid Formula: C6H5NO2 MolecularWeight: 133.089976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

[2H][13C]1=[13C]([13C](=[13C](N=[13C]1[2H])[2H])[13C](=O)O)[2H]

InChI

InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1+1D,2+1D,3+1D,4+1D,5+1,6+1