2-[(3,5-dinitrophenyl)methylsulfinyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfinyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfinyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3,5-dinitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium Traditional Name: 2-(3,5-dinitrobenzyl)sulfinyl-1-oxido-pyridin-1-ium Formula: C12H9N3O6S MolecularWeight: 323.28136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O6S/c16-13-4-2-1-3-12(13)22(21)8-9-5-10(14(17)18)7-11(6-9)15(19)20/h1-7H,8H2