dibutyl(3-cyanopropyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: dibutyl(3-cyanopropyl)azanium; 2,4,6-trinitrophenolate Openeye Name: dibutyl(3-cyanopropyl)ammonium; 2,4,6-trinitrophenolate CAS Name: dibutyl(3-cyanopropyl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: dibutyl(3-cyanopropyl)azanium; 2,4,6-trinitrophenolate Traditional Name: dibutyl(3-cyanopropyl)ammonium picrate Formula: C18H27N5O7 MolecularWeight: 425.43628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2.C6H3N3O7/c1-3-5-10-14(11-6-4-2)12-8-7-9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-8,10-12H2,1-2H3;1-2,10H