1,3-dimethylpyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 1,3-dimethylpyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: 1,3-dimethylpyridin-1-ium; picric acid CAS Name: 1,3-dimethylpyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 1,3-dimethylpyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: 1,3-dimethylpyridin-1-ium; picric acid Formula: C13H13N4O7+ MolecularWeight: 337.26492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H10N.C6H3N3O7/c1-7-4-3-5-8(2)6-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,1-2H3;1-2,10H/q+1;