(1-methylpyridin-1-ium-2-yl)methanol; 2,4,6-trinitrophenolate

Systemtic Name: (1-methylpyridin-1-ium-2-yl)methanol; 2,4,6-trinitrophenolate Openeye Name: (1-methylpyridin-1-ium-2-yl)methanol; 2,4,6-trinitrophenolate CAS Name: (1-methyl-2-pyridin-1-iumyl)methanol; 2,4,6-trinitrophenolate IUPAC Name: (1-methylpyridin-1-ium-2-yl)methanol; 2,4,6-trinitrophenolate Traditional Name: (1-methylpyridin-1-ium-2-yl)methanol picrate Formula: C13H12N4O8 MolecularWeight: 352.25638

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CO.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CO.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H10NO.C6H3N3O7/c1-8-5-3-2-4-7(8)6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5,9H,6H2,1H3;1-2,10H/q+1;/p-1