2-(1-oxidanyl-3-oxidanylidene-1-sulfo-propan-2-yl)pyridine-4-carboxylic acid

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-1-sulfo-propan-2-yl)pyridine-4-carboxylic acid Openeye Name: 2-(1-formyl-2-hydroxy-2-sulfo-ethyl)pyridine-4-carboxylic acid CAS Name: 2-(1-hydroxy-3-oxo-1-sulfopropan-2-yl)-4-pyridinecarboxylic acid IUPAC Name: 2-(1-hydroxy-3-oxo-1-sulfopropan-2-yl)pyridine-4-carboxylic acid Traditional Name: 2-(1-formyl-2-hydroxy-2-sulfo-ethyl)isonicotinic acid Formula: C9H9NO7S MolecularWeight: 275.23526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)O)C(C=O)C(O)S(=O)(=O)O

Isomeric SMILES

C1=CN=C(C=C1C(=O)O)C(C=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C9H9NO7S/c11-4-6(9(14)18(15,16)17)7-3-5(8(12)13)1-2-10-7/h1-4,6,9,14H,(H,12,13)(H,15,16,17)