2-[(4-nitrophenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(4-nitrophenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(4-nitrophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(4-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(4-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(4-nitrobenzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C12H10N2O5S MolecularWeight: 294.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H10N2O5S/c15-13-8-2-1-3-12(13)20(18,19)9-10-4-6-11(7-5-10)14(16)17/h1-8H,9H2