2-(4-methylphenyl)sulfonyl-5-nitro-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-nitro-1-oxidanidyl-pyridin-1-ium Openeye Name: 5-nitro-1-oxido-2-(p-tolylsulfonyl)pyridin-1-ium CAS Name: 2-(4-methylphenyl)sulfonyl-5-nitro-1-oxidopyridin-1-ium IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-nitro-1-oxidopyridin-1-ium Traditional Name: 5-nitro-1-oxido-2-tosyl-pyridin-1-ium Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=[N+](C=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=[N+](C=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N2O5S/c1-9-2-5-11(6-3-9)20(18,19)12-7-4-10(14(16)17)8-13(12)15/h2-8H,1H3