3-nitro-4-pyridin-1-ium-1-yl-benzenesulfonate

Systemtic Name: 3-nitro-4-pyridin-1-ium-1-yl-benzenesulfonate Openeye Name: 3-nitro-4-pyridin-1-ium-1-yl-benzenesulfonate CAS Name: 3-nitro-4-(1-pyridin-1-iumyl)benzenesulfonate IUPAC Name: 3-nitro-4-pyridin-1-ium-1-ylbenzenesulfonate Traditional Name: 3-nitro-4-pyridin-1-ium-1-yl-besylate Formula: C11H8N2O5S MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O5S/c14-13(15)11-8-9(19(16,17)18)4-5-10(11)12-6-2-1-3-7-12/h1-8H