4-(1-oxidanidylpiperidin-1-ium-1-yl)but-2-ynyl ethanoate; 2,4,6-trinitrophenol

Systemtic Name: 4-(1-oxidanidylpiperidin-1-ium-1-yl)but-2-ynyl ethanoate; 2,4,6-trinitrophenol Openeye Name: 4-(1-oxidopiperidin-1-ium-1-yl)but-2-ynyl acetate; picric acid CAS Name: acetic acid 4-(1-oxido-1-piperidin-1-iumyl)but-2-ynyl ester; 2,4,6-trinitrophenol IUPAC Name: 4-(1-oxidopiperidin-1-ium-1-yl)but-2-ynyl acetate; 2,4,6-trinitrophenol Traditional Name: acetic acid 4-(1-oxidopiperidin-1-ium-1-yl)but-2-ynyl ester; picric acid Formula: C17H20N4O10 MolecularWeight: 440.3615

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CC[N+]1(CCCCC1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC#CC[N+]1(CCCCC1)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H17NO3.C6H3N3O7/c1-11(13)15-10-6-5-9-12(14)7-3-2-4-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4,7-10H2,1H3;1-2,10H