4-[(1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-[(1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(5-hydroxy-1-oxido-pyridin-1-ium-3-yl)methyl]benzenesulfonic acid CAS Name: 4-[(5-hydroxy-1-oxido-3-pyridin-1-iumyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(5-hydroxy-1-oxidopyridin-1-ium-3-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(5-hydroxy-1-oxido-pyridin-1-ium-3-yl)methyl]besylic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C[N+](=C2)[O-])O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C[N+](=C2)[O-])O)S(=O)(=O)O

InChI

InChI=1S/C12H11NO5S/c14-11-6-10(7-13(15)8-11)5-9-1-3-12(4-2-9)19(16,17)18/h1-4,6-8,14H,5H2,(H,16,17,18)