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

Systemtic Name: 3-(4-carboxypyridin-1-ium-1-yl)-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-(4-carboxypyridin-1-ium-1-yl)-2-hydroxy-propane-1-sulfonate CAS Name: 3-(4-carboxy-1-pyridin-1-iumyl)-2-hydroxy-1-propanesulfonate IUPAC Name: 3-(4-carboxypyridin-1-ium-1-yl)-2-hydroxypropane-1-sulfonate Traditional Name: 3-(4-carboxypyridin-1-ium-1-yl)-2-hydroxy-propane-1-sulfonate Formula: C9H11NO6S MolecularWeight: 261.25174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6S/c11-8(6-17(14,15)16)5-10-3-1-7(2-4-10)9(12)13/h1-4,8,11H,5-6H2,(H-,12,13,14,15,16)