2-(5-methyl-2,4-dinitro-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(5-methyl-2,4-dinitro-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(5-methyl-2,4-dinitro-phenyl)sulfanyl-1-oxido-pyridin-1-ium CAS Name: 2-[(5-methyl-2,4-dinitrophenyl)thio]-1-oxidopyridin-1-ium IUPAC Name: 2-(5-methyl-2,4-dinitrophenyl)sulfanyl-1-oxidopyridin-1-ium Traditional Name: 2-[(5-methyl-2,4-dinitro-phenyl)thio]-1-oxido-pyridin-1-ium Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C12H9N3O5S/c1-8-6-11(21-12-4-2-3-5-13(12)16)10(15(19)20)7-9(8)14(17)18/h2-7H,1H3