2-[2-(2-diethylaminoethyloxy)ethoxy]-N,N-diethyl-ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-[2-(2-diethylaminoethyloxy)ethoxy]-N,N-diethyl-ethanamine; 2,4,6-trinitrophenol Openeye Name: 2-[2-(2-diethylaminoethyloxy)ethoxy]-N,N-diethyl-ethanamine; picric acid CAS Name: 2-[2-(2-diethylaminoethyloxy)ethoxy]-N,N-diethylethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-[2-(2-diethylaminoethyloxy)ethoxy]-N,N-diethylethanamine; 2,4,6-trinitrophenol Traditional Name: 2-[2-(2-diethylaminoethyloxy)ethoxy]ethyl-diethyl-amine; picric acid Formula: C26H38N8O16 MolecularWeight: 718.62392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32N2O2.2C6H3N3O7/c1-5-15(6-2)9-11-17-13-14-18-12-10-16(7-3)8-4;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-14H2,1-4H3;2*1-2,10H