3-sulfopyridin-1-ium-2-carboxylate chloride

Systemtic Name: 3-sulfopyridin-1-ium-2-carboxylate chloride Openeye Name: 3-sulfopyridin-1-ium-2-carboxylate chloride CAS Name: 3-sulfo-2-pyridin-1-iumcarboxylate chloride IUPAC Name: 3-sulfopyridin-1-ium-2-carboxylate chloride Traditional Name: 3-sulfopyridin-1-ium-2-carboxylate chloride Formula: C6H5ClNO5S- MolecularWeight: 238.6256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)C(=O)[O-])S(=O)(=O)O.[Cl-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)C(=O)[O-])S(=O)(=O)O.[Cl-]

InChI

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