1-methylpyridin-1-ium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate

Systemtic Name: 1-methylpyridin-1-ium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate Openeye Name: 1-methylpyridin-1-ium; picric acid; 2,4,6-trinitrophenolate CAS Name: 1-methylpyridin-1-ium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate IUPAC Name: 1-methylpyridin-1-ium; 2,4,6-trinitrophenol; 2,4,6-trinitrophenolate Traditional Name: 1-methylpyridin-1-ium; picric acid; picrate Formula: C18H13N7O14 MolecularWeight: 551.33432

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/2C6H3N3O7.C6H8N/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-7-5-3-2-4-6-7/h2*1-2,10H;2-6H,1H3/q;;+1/p-1