(2,6-dimethoxyphenyl)methyl-diethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: (2,6-dimethoxyphenyl)methyl-diethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: (2,6-dimethoxyphenyl)methyl-diethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: (2,6-dimethoxyphenyl)methyl-diethylammonium; 2,4,6-trinitrophenolate IUPAC Name: (2,6-dimethoxyphenyl)methyl-diethylazanium; 2,4,6-trinitrophenolate Traditional Name: (2,6-dimethoxybenzyl)-diethyl-ammonium picrate Formula: C19H24N4O9 MolecularWeight: 452.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC=C1OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC=C1OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H21NO2.C6H3N3O7/c1-5-14(6-2)10-11-12(15-3)8-7-9-13(11)16-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-9H,5-6,10H2,1-4H3;1-2,10H