4-methyl-1-pyridin-1-ium-1-yl-pentan-2-one; 2,4,6-trinitrophenolate

Systemtic Name: 4-methyl-1-pyridin-1-ium-1-yl-pentan-2-one; 2,4,6-trinitrophenolate Openeye Name: 4-methyl-1-pyridin-1-ium-1-yl-pentan-2-one; 2,4,6-trinitrophenolate CAS Name: 4-methyl-1-(1-pyridin-1-iumyl)-2-pentanone; 2,4,6-trinitrophenolate IUPAC Name: 4-methyl-1-pyridin-1-ium-1-ylpentan-2-one; 2,4,6-trinitrophenolate Traditional Name: 4-methyl-1-pyridin-1-ium-1-yl-pentan-2-one picrate Formula: C17H18N4O8 MolecularWeight: 406.34682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO.C6H3N3O7/c1-10(2)8-11(13)9-12-6-4-3-5-7-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7,10H,8-9H2,1-2H3;1-2,10H/q+1;/p-1