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azanium 2-methyl-1,3,5-trinitro-benzene nitrate

azanium 2-methyl-1,3,5-trinitro-benzene nitrate

Systemtic Name:azanium 2-methyl-1,3,5-trinitro-benzene nitrate
Openeye Name:ammonium 2-methyl-1,3,5-trinitro-benzene nitrate
CAS Name:ammonium 2-methyl-1,3,5-trinitrobenzene nitrate
IUPAC Name:azanium 2-methyl-1,3,5-trinitrobenzene nitrate
Traditional Name:ammonium 2-methyl-1,3,5-trinitro-benzene nitrate
Formula: C7H9N5O9
MolecularWeight: 307.17446
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+].[N+](=O)([O-])[O-]


Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+].[N+](=O)([O-])[O-]


InChI

InChI=1S/C7H5N3O6.NO3.H3N/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;2-1(3)4;/h2-3H,1H3;;1H3/q;-1;/p+1


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