3-morpholin-4-ium-4-ylpropane-1,2-diol; 2,4,6-trinitrophenolate

Systemtic Name: 3-morpholin-4-ium-4-ylpropane-1,2-diol; 2,4,6-trinitrophenolate Openeye Name: 3-morpholin-4-ium-4-ylpropane-1,2-diol; 2,4,6-trinitrophenolate CAS Name: 3-(4-morpholin-4-iumyl)propane-1,2-diol; 2,4,6-trinitrophenolate IUPAC Name: 3-morpholin-4-ium-4-ylpropane-1,2-diol; 2,4,6-trinitrophenolate Traditional Name: 3-morpholin-4-ium-4-ylpropane-1,2-diol picrate Formula: C13H18N4O10 MolecularWeight: 390.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H15NO3.C6H3N3O7/c9-6-7(10)5-8-1-3-11-4-2-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7,9-10H,1-6H2;1-2,10H