2-pyridin-1-ium-1-ylcyclohexan-1-one; 2,4,6-trinitrophenolate

Systemtic Name: 2-pyridin-1-ium-1-ylcyclohexan-1-one; 2,4,6-trinitrophenolate Openeye Name: 2-pyridin-1-ium-1-ylcyclohexanone; 2,4,6-trinitrophenolate CAS Name: 2-(1-pyridin-1-iumyl)-1-cyclohexanone; 2,4,6-trinitrophenolate IUPAC Name: 2-pyridin-1-ium-1-ylcyclohexan-1-one; 2,4,6-trinitrophenolate Traditional Name: 2-pyridin-1-ium-1-ylcyclohexanone picrate Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)[N+]2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)[N+]2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14NO.C6H3N3O7/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,4-5,8-10H,2-3,6-7H2;1-2,10H/q+1;/p-1