sodium 2-(4-carboxypyridin-2-yl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium 2-(4-carboxypyridin-2-yl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium 2-(4-carboxy-2-pyridyl)-1-hydroxy-3-oxo-propane-1-sulfonate CAS Name: sodium 2-(4-carboxy-2-pyridinyl)-1-hydroxy-3-oxo-1-propanesulfonate IUPAC Name: sodium 2-(4-carboxypyridin-2-yl)-1-hydroxy-3-oxopropane-1-sulfonate Traditional Name: sodium 2-(4-carboxy-2-pyridyl)-1-hydroxy-3-keto-propane-1-sulfonate Formula: C9H8NNaO7S MolecularWeight: 297.21709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)O)C(C=O)C(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CN=C(C=C1C(=O)O)C(C=O)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H9NO7S.Na/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);/q;+1/p-1