2-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-methoxy-5-nitro-benzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H12N2O6S/c1-21-12-6-5-11(15(17)18)8-10(12)9-22(19,20)13-4-2-3-7-14(13)16/h2-8H,9H2,1H3