N,N-diethylethanamine; 2,4,6-trinitrophenol

Systemtic Name: N,N-diethylethanamine; 2,4,6-trinitrophenol Openeye Name: N,N-diethylethanamine; picric acid CAS Name: N,N-diethylethanamine; 2,4,6-trinitrophenol IUPAC Name: N,N-diethylethanamine; 2,4,6-trinitrophenol Traditional Name: picric acid; triethylamine Formula: C12H18N4O7 MolecularWeight: 330.29392

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H15N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-4-7(5-2)6-3/h1-2,10H;4-6H2,1-3H3