1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; 2,4,6-trinitrophenol Openeye Name: 1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; picric acid CAS Name: 1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; 2,4,6-trinitrophenol IUPAC Name: 1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; 2,4,6-trinitrophenol Traditional Name: 1,1-dideuterio-2-(1H-imidazol-5-yl)ethanol; picric acid Formula: C11H11N5O8 MolecularWeight: 343.246064

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(NC=N1)CCO

Isomeric SMILES

[2H]C([2H])(CC1=CN=CN1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C5H8N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;8-2-1-5-3-6-4-7-5/h1-2,10H;3-4,8H,1-2H2,(H,6,7)/i;2D2