2-(4-carboxypyridin-1-ium-1-yl)ethanesulfonate

Systemtic Name: 2-(4-carboxypyridin-1-ium-1-yl)ethanesulfonate Openeye Name: 2-(4-carboxypyridin-1-ium-1-yl)ethanesulfonate CAS Name: 2-(4-carboxy-1-pyridin-1-iumyl)ethanesulfonate IUPAC Name: 2-(4-carboxypyridin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-(4-carboxypyridin-1-ium-1-yl)ethanesulfonate Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)O)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)O)CCS(=O)(=O)[O-]

InChI

InChI=1S/C8H9NO5S/c10-8(11)7-1-3-9(4-2-7)5-6-15(12,13)14/h1-4H,5-6H2,(H-,10,11,12,13,14)