azanium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene

Systemtic Name: azanium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene Openeye Name: ammonium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene CAS Name: ammonium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene IUPAC Name: azanium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene Traditional Name: ammonium 1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene Formula: C12H8N7O13+ MolecularWeight: 458.23102

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C12H4N6O13.H3N/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30;/h1-4H;1H3/p+1