3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one; 2,4,6-trinitrophenol

Systemtic Name: 3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one; 2,4,6-trinitrophenol Openeye Name: 3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one; picric acid CAS Name: 3-(dimethylamino)-1-(2-hydroxyphenyl)-1-propanone; 2,4,6-trinitrophenol IUPAC Name: 3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one; 2,4,6-trinitrophenol Traditional Name: 3-(dimethylamino)-1-(2-hydroxyphenyl)propan-1-one; picric acid Formula: C17H18N4O9 MolecularWeight: 422.34622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)C1=CC=CC=C1O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC(=O)C1=CC=CC=C1O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15NO2.C6H3N3O7/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,13H,7-8H2,1-2H3;1-2,10H