sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene; oxidanidyl(oxidanylidene)azanium

Systemtic Name: sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene; oxidanidyl(oxidanylidene)azanium Openeye Name: sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene; oxido(oxo)ammonium CAS Name: sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitrobenzene; oxido(oxo)ammonium IUPAC Name: sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitrobenzene; oxido(oxo)azanium Traditional Name: sodium; 3-tert-butyl-1,5-dimethyl-2,4-dinitro-benzene; keto(oxido)ammonium Formula: C12H17N3NaO6+ MolecularWeight: 322.26965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C.[NH+](=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C.[NH+](=O)[O-].[Na+]

InChI

InChI=1S/C12H16N2O4.HNO2.Na/c1-7-6-8(2)11(14(17)18)9(12(3,4)5)10(7)13(15)16;2-1-3;/h6H,1-5H3;1H;/q;;+1