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

Systemtic Name: 1,4-dimethylpyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1,4-dimethylpyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1,4-dimethylpyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1,4-dimethylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1,4-dimethylpyridin-1-ium picrate Formula: C13H12N4O7 MolecularWeight: 336.25698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10N.C6H3N3O7/c1-7-3-5-8(2)6-4-7;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;/p-1