butyl-dimethyl-oxidanyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: butyl-dimethyl-oxidanyl-azanium; 2,4,6-trinitrophenolate Openeye Name: butyl-hydroxy-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: butyl-hydroxy-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: butyl-hydroxy-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: butyl-hydroxy-dimethyl-ammonium picrate Formula: C12H18N4O8 MolecularWeight: 346.29332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H16NO/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-4-5-6-7(2,3)8/h1-2,10H;8H,4-6H2,1-3H3/q;+1/p-1