1-(2-sulfonatoethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: 1-(2-sulfonatoethyl)pyridin-1-ium-3-carboxylate Openeye Name: 1-(2-sulfonatoethyl)pyridin-1-ium-3-carboxylate CAS Name: 1-(2-sulfonatoethyl)-3-pyridin-1-iumcarboxylate IUPAC Name: 1-(2-sulfonatoethyl)pyridin-1-ium-3-carboxylate Traditional Name: 1-(2-sulfonatoethyl)pyridin-1-ium-3-carboxylate Formula: C8H8NO5S- MolecularWeight: 230.21782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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