(3-ethanoylphenyl)-dimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: (3-ethanoylphenyl)-dimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: (3-acetylphenyl)-dimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: (3-acetylphenyl)-dimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: (3-acetylphenyl)-dimethylazanium; 2,4,6-trinitrophenolate Traditional Name: (3-acetylphenyl)-dimethyl-ammonium picrate Formula: C16H16N4O8 MolecularWeight: 392.32024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO.C6H3N3O7/c1-8(12)9-5-4-6-10(7-9)11(2)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,1-3H3;1-2,10H