2-[(4-chloranyl-3-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(4-chloro-3-nitro-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(4-chloro-3-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(4-chloro-3-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(4-chloro-3-nitro-benzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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