benzenesulfonate; 2-iodanyl-1-methyl-pyridin-1-ium-3-ol

Systemtic Name: benzenesulfonate; 2-iodanyl-1-methyl-pyridin-1-ium-3-ol Openeye Name: benzenesulfonate; 2-iodo-1-methyl-pyridin-1-ium-3-ol CAS Name: benzenesulfonate; 2-iodo-1-methyl-3-pyridin-1-iumol IUPAC Name: benzenesulfonate; 2-iodo-1-methylpyridin-1-ium-3-ol Traditional Name: 2-iodo-1-methyl-pyridin-1-ium-3-ol besylate Formula: C12H12INO4S MolecularWeight: 393.19745

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1I)O.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1I)O.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C6H6INO.C6H6O3S/c1-8-4-2-3-5(9)6(8)7;7-10(8,9)6-4-2-1-3-5-6/h2-4H,1H3;1-5H,(H,7,8,9)