2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethanone; 2,4,6-trinitrophenolate

Systemtic Name: 2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethanone; 2,4,6-trinitrophenolate Openeye Name: 2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethanone; 2,4,6-trinitrophenolate CAS Name: 2-(1H-imidazol-3-ium-3-yl)-1-phenylethanone; 2,4,6-trinitrophenolate IUPAC Name: 2-(1H-imidazol-3-ium-3-yl)-1-phenylethanone; 2,4,6-trinitrophenolate Traditional Name: 2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethanone picrate Formula: C17H13N5O8 MolecularWeight: 415.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CNC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CNC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O.C6H3N3O7/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7,9H,8H2;1-2,10H