5-(2-methoxyethyl)-1H-imidazole; 2,4,6-trinitrophenol

Systemtic Name: 5-(2-methoxyethyl)-1H-imidazole; 2,4,6-trinitrophenol Openeye Name: 5-(2-methoxyethyl)-1H-imidazole; picric acid CAS Name: 5-(2-methoxyethyl)-1H-imidazole; 2,4,6-trinitrophenol IUPAC Name: 5-(2-methoxyethyl)-1H-imidazole; 2,4,6-trinitrophenol Traditional Name: 5-(2-methoxyethyl)-1H-imidazole; picric acid Formula: C12H13N5O8 MolecularWeight: 355.26032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CN=CN1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCC1=CN=CN1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H10N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-9-3-2-6-4-7-5-8-6/h1-2,10H;4-5H,2-3H2,1H3,(H,7,8)