1-(4-butylphenoxy)pyridin-4-one; 2,4,6-trinitrophenol

Systemtic Name: 1-(4-butylphenoxy)pyridin-4-one; 2,4,6-trinitrophenol Openeye Name: 1-(4-butylphenoxy)pyridin-4-one; picric acid CAS Name: 1-(4-butylphenoxy)-4-pyridinone; 2,4,6-trinitrophenol IUPAC Name: 1-(4-butylphenoxy)pyridin-4-one; 2,4,6-trinitrophenol Traditional Name: 1-(4-butylphenoxy)-4-pyridone; picric acid Formula: C21H20N4O9 MolecularWeight: 472.4049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)ON2C=CC(=O)C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)ON2C=CC(=O)C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17NO2.C6H3N3O7/c1-2-3-4-13-5-7-15(8-6-13)18-16-11-9-14(17)10-12-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-12H,2-4H2,1H3;1-2,10H