barium; 3-sulfopyridine-4-carboxylic acid

Systemtic Name: barium; 3-sulfopyridine-4-carboxylic acid Openeye Name: barium; 3-sulfopyridine-4-carboxylic acid CAS Name: barium; 3-sulfo-4-pyridinecarboxylic acid IUPAC Name: barium; 3-sulfopyridine-4-carboxylic acid Traditional Name: barium; 3-sulfoisonicotinic acid Formula: C6H5BaNO5S MolecularWeight: 340.4996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC(=C1C(=O)O)S(=O)(=O)O.[Ba]

Isomeric SMILES

C1=CN=CC(=C1C(=O)O)S(=O)(=O)O.[Ba]

InChI

InChI=1S/C6H5NO5S.Ba/c8-6(9)4-1-2-7-3-5(4)13(10,11)12;/h1-3H,(H,8,9)(H,10,11,12);