2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxido-pyridin-1-ium CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-oxidopyridin-1-ium IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-oxidopyridin-1-ium Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-oxido-pyridin-1-ium Formula: C12H6F3N3O5S MolecularWeight: 361.25335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H6F3N3O5S/c13-12(14,15)7-5-8(17(20)21)11(9(6-7)18(22)23)24-10-3-1-2-4-16(10)19/h1-6H