1-oxidanidyl-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1-oxidanidyl-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1-oxido-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1-oxido-3-(1-pyridin-1-iumylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1-oxido-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1-oxido-3-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium dipicrate Formula: C23H15N8O15- MolecularWeight: 643.4098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C[N+](=CC=C2)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[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)CC2=C[N+](=CC=C2)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[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/C11H11N2O.2C6H3N3O7/c14-13-8-4-5-11(10-13)9-12-6-2-1-3-7-12;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8,10H,9H2;2*1-2,10H/q+1;;/p-2