sodium pyridine-3-sulfonate dihydrate

Systemtic Name: sodium pyridine-3-sulfonate dihydrate Openeye Name: sodium pyridine-3-sulfonate dihydrate CAS Name: sodium 3-pyridinesulfonate dihydrate IUPAC Name: sodium pyridine-3-sulfonate dihydrate Traditional Name: sodium pyridine-3-sulfonate dihydrate Formula: C5H8NNaO5S MolecularWeight: 217.17549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5NO3S.Na.2H2O/c7-10(8,9)5-2-1-3-6-4-5;;;/h1-4H,(H,7,8,9);;2*1H2/q;+1;;/p-1