1,6-dimethylpyridin-1-ium-3-ol; 2,4,6-trinitrophenolate

Systemtic Name: 1,6-dimethylpyridin-1-ium-3-ol; 2,4,6-trinitrophenolate Openeye Name: 1,6-dimethylpyridin-1-ium-3-ol; 2,4,6-trinitrophenolate CAS Name: 1,6-dimethyl-3-pyridin-1-iumol; 2,4,6-trinitrophenolate IUPAC Name: 1,6-dimethylpyridin-1-ium-3-ol; 2,4,6-trinitrophenolate Traditional Name: 1,6-dimethylpyridin-1-ium-3-ol picrate Formula: C13H12N4O8 MolecularWeight: 352.25638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO.C6H3N3O7/c1-6-3-4-7(9)5-8(6)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,1-2H3;1-2,10H