2-[(3-methyl-4-nitro-phenyl)methylsulfinyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)methylsulfinyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3-methyl-4-nitro-phenyl)methylsulfinyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-methyl-4-nitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-methyl-4-nitrophenyl)methylsulfinyl]-1-oxidopyridin-1-ium Traditional Name: 2-(3-methyl-4-nitro-benzyl)sulfinyl-1-oxido-pyridin-1-ium Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CS(=O)C2=CC=CC=[N+]2[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CS(=O)C2=CC=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-10-8-11(5-6-12(10)15(17)18)9-20(19)13-4-2-3-7-14(13)16/h2-8H,9H2,1H3