1-propylpyridin-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenol Openeye Name: picric acid; 1-propylpyridin-1-ium CAS Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenol IUPAC Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenol Traditional Name: picric acid; 1-propylpyridin-1-ium Formula: C14H15N4O7+ MolecularWeight: 351.2915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N.C6H3N3O7/c1-2-6-9-7-4-3-5-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,7-8H,2,6H2,1H3;1-2,10H/q+1;