2-[(2-chloranyl-4-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(2-chloro-4-nitro-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(2-chloro-4-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(2-chloro-4-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-chloro-4-nitro-benzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C12H9ClN2O5S MolecularWeight: 328.72826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O5S/c13-11-7-10(15(17)18)5-4-9(11)8-21(19,20)12-3-1-2-6-14(12)16/h1-7H,8H2