benzene-1,3-diol; 2,4,6-trinitrophenol

Systemtic Name: benzene-1,3-diol; 2,4,6-trinitrophenol Openeye Name: benzene-1,3-diol; picric acid CAS Name: benzene-1,3-diol; 2,4,6-trinitrophenol IUPAC Name: benzene-1,3-diol; 2,4,6-trinitrophenol Traditional Name: picric acid; resorcinol Formula: C12H9N3O9 MolecularWeight: 339.21456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H6O2/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-5-2-1-3-6(8)4-5/h1-2,10H;1-4,7-8H