2,2'-spirobi[1,3-dihydroisoindol-2-ium]; 2,4,6-trinitrophenol; bromide

Systemtic Name: 2,2'-spirobi[1,3-dihydroisoindol-2-ium]; 2,4,6-trinitrophenol; bromide Openeye Name: picric acid; 2,2'-spirobi[1,3-dihydroisoindol-2-ium]; bromide CAS Name: 2,2'-spirobi[1,3-dihydroisoindol-2-ium]; 2,4,6-trinitrophenol; bromide IUPAC Name: 2,2'-spirobi[1,3-dihydroisoindol-2-ium]; 2,4,6-trinitrophenol; bromide Traditional Name: picric acid; 2,2'-spirobi[1,3-dihydroisoindol-2-ium]; bromide Formula: C22H19BrN4O7 MolecularWeight: 531.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[N+]13CC4=CC=CC=C4C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C[N+]13CC4=CC=CC=C4C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H16N.C6H3N3O7.BrH/c1-2-6-14-10-17(9-13(14)5-1)11-15-7-3-4-8-16(15)12-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-8H,9-12H2;1-2,10H;1H/q+1;;/p-1