N,N-diethylethanamine; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: N,N-diethylethanamine; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: N,N-diethylethanamine; 2,4,6-trinitrobenzene-1,3-diol CAS Name: N,N-diethylethanamine; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: N,N-diethylethanamine; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: triethylamine; 2,4,6-trinitroresorcinol Formula: C12H18N4O8 MolecularWeight: 346.29332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O8.C6H15N/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;1-4-7(5-2)6-3/h1,10-11H;4-6H2,1-3H3