4-tert-butyl-4-oxidanidyl-morpholin-4-ium; 2,4,6-trinitrophenol

Systemtic Name: 4-tert-butyl-4-oxidanidyl-morpholin-4-ium; 2,4,6-trinitrophenol Openeye Name: 4-tert-butyl-4-oxido-morpholin-4-ium; picric acid CAS Name: 4-tert-butyl-4-oxidomorpholin-4-ium; 2,4,6-trinitrophenol IUPAC Name: 4-tert-butyl-4-oxidomorpholin-4-ium; 2,4,6-trinitrophenol Traditional Name: 4-tert-butyl-4-oxido-morpholin-4-ium; picric acid Formula: C14H20N4O9 MolecularWeight: 388.33

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CCOCC1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[N+]1(CCOCC1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H17NO2.C6H3N3O7/c1-8(2,3)9(10)4-6-11-7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H2,1-3H3;1-2,10H