azanium 2-butyl-3,4-dinitro-phenolate

Systemtic Name: azanium 2-butyl-3,4-dinitro-phenolate Openeye Name: ammonium 2-butyl-3,4-dinitro-phenolate CAS Name: ammonium 2-butyl-3,4-dinitrophenolate IUPAC Name: azanium 2-butyl-3,4-dinitrophenolate Traditional Name: ammonium 2-butyl-3,4-dinitro-phenolate Formula: C10H15N3O5 MolecularWeight: 257.2432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+]

Isomeric SMILES

CCCCC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+]

InChI

InChI=1S/C10H12N2O5.H3N/c1-2-3-4-7-9(13)6-5-8(11(14)15)10(7)12(16)17;/h5-6,13H,2-4H2,1H3;1H3