2-(4-methylsulfonyl-2-nitro-phenoxy)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenoxy)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenoxy)-1-oxido-pyridin-1-ium CAS Name: 2-(4-methylsulfonyl-2-nitrophenoxy)-1-oxidopyridin-1-ium IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenoxy)-1-oxidopyridin-1-ium Traditional Name: 2-(4-mesyl-2-nitro-phenoxy)-1-oxido-pyridin-1-ium Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S/c1-21(18,19)9-5-6-11(10(8-9)14(16)17)20-12-4-2-3-7-13(12)15/h2-8H,1H3