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

Systemtic Name: (2,6-dimethoxyphenyl)methyl-dimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: (2,6-dimethoxyphenyl)methyl-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: (2,6-dimethoxyphenyl)methyl-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: (2,6-dimethoxyphenyl)methyl-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: (2,6-dimethoxybenzyl)-dimethyl-ammonium picrate Formula: C17H20N4O9 MolecularWeight: 424.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)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/C11H17NO2.C6H3N3O7/c1-12(2)8-9-10(13-3)6-5-7-11(9)14-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7H,8H2,1-4H3;1-2,10H