4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoic acid CAS Name: 4-[(1-oxido-2-pyridin-1-iumyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(1-oxidopyridin-1-ium-2-yl)sulfonylmethyl]benzoic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O)[O-]

InChI

InChI=1S/C13H11NO5S/c15-13(16)11-6-4-10(5-7-11)9-20(18,19)12-3-1-2-8-14(12)17/h1-8H,9H2,(H,15,16)