(2,4-dinitrophenyl)-pyridin-1-ium-1-yl-methanone; 2,4,6-trinitrophenolate

Systemtic Name: (2,4-dinitrophenyl)-pyridin-1-ium-1-yl-methanone; 2,4,6-trinitrophenolate Openeye Name: (2,4-dinitrophenyl)-pyridin-1-ium-1-yl-methanone; 2,4,6-trinitrophenolate CAS Name: (2,4-dinitrophenyl)-(1-pyridin-1-iumyl)methanone; 2,4,6-trinitrophenolate IUPAC Name: (2,4-dinitrophenyl)-pyridin-1-ium-1-ylmethanone; 2,4,6-trinitrophenolate Traditional Name: (2,4-dinitrophenyl)-pyridin-1-ium-1-yl-methanone picrate Formula: C18H10N6O12 MolecularWeight: 502.305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N3O5.C6H3N3O7/c16-12(13-6-2-1-3-7-13)10-5-4-9(14(17)18)8-11(10)15(19)20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8H;1-2,10H/q+1;/p-1