tetrabutylazanium; 2,4,6-trinitrophenolate

Systemtic Name: tetrabutylazanium; 2,4,6-trinitrophenolate Openeye Name: tetrabutylammonium; 2,4,6-trinitrophenolate CAS Name: tetrabutylammonium; 2,4,6-trinitrophenolate IUPAC Name: tetrabutylazanium; 2,4,6-trinitrophenolate Traditional Name: tetrabutylammonium picrate Formula: C22H38N4O7 MolecularWeight: 470.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C6H3N3O7/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-16H2,1-4H3;1-2,10H/q+1;/p-1