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

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)methylsulfinyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(2-chloro-4-nitro-phenyl)methylsulfinyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(2-chloro-4-nitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(2-chloro-4-nitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium Traditional Name: 2-(2-chloro-4-nitro-benzyl)sulfinyl-1-oxido-pyridin-1-ium Formula: C12H9ClN2O4S MolecularWeight: 312.72886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4S/c13-11-7-10(15(17)18)5-4-9(11)8-20(19)12-3-1-2-6-14(12)16/h1-7H,8H2