(4-azaniumylcuban-1-yl)azanium; trinitromethane

Systemtic Name: (4-azaniumylcuban-1-yl)azanium; trinitromethane Openeye Name: (4-azaniumylcuban-1-yl)ammonium; trinitromethane CAS Name: (4-ammonio-1-cubanyl)ammonium; trinitromethane IUPAC Name: (4-azaniumylcuban-1-yl)azanium; trinitromethane Traditional Name: (4-ammoniocuban-1-yl)ammonium; trinitromethane Formula: C10H12N8O12 MolecularWeight: 436.24868

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Descriptors Computed from Structure

Canonical SMILES:

C12C3C4C1(C5C2C3(C45)[NH3+])[NH3+].[C-]([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].[C-]([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C12C3C4C1(C5C2C3(C45)[NH3+])[NH3+].[C-]([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].[C-]([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H10N2.2CN3O6/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10;2*5-2(6)1(3(7)8)4(9)10/h1-6H,9-10H2;;/q;2*-1/p+2