diethyl-(4-methyl-4-oxidanyl-3-oxidanylidene-pentyl)azanium; 2,4,6-trinitrophenolate

Systemtic Name: diethyl-(4-methyl-4-oxidanyl-3-oxidanylidene-pentyl)azanium; 2,4,6-trinitrophenolate Openeye Name: diethyl-(4-hydroxy-4-methyl-3-oxo-pentyl)ammonium; 2,4,6-trinitrophenolate CAS Name: diethyl-(4-hydroxy-4-methyl-3-oxopentyl)ammonium; 2,4,6-trinitrophenolate IUPAC Name: diethyl-(4-hydroxy-4-methyl-3-oxopentyl)azanium; 2,4,6-trinitrophenolate Traditional Name: diethyl-(4-hydroxy-3-keto-4-methyl-pentyl)ammonium picrate Formula: C16H24N4O9 MolecularWeight: 416.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)C(C)(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC(=O)C(C)(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H21NO2.C6H3N3O7/c1-5-11(6-2)8-7-9(12)10(3,4)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13H,5-8H2,1-4H3;1-2,10H