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

Systemtic Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-propylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-propylpyridin-1-ium picrate Formula: C14H14N4O7 MolecularWeight: 350.28356

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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;/p-1