2-(2,6-dinitrophenoxy)-1-ethyl-pyridin-1-ium; tetraphenylboranuide

Systemtic Name: 2-(2,6-dinitrophenoxy)-1-ethyl-pyridin-1-ium; tetraphenylboranuide Openeye Name: 2-(2,6-dinitrophenoxy)-1-ethyl-pyridin-1-ium; tetraphenylboranuide CAS Name: 2-(2,6-dinitrophenoxy)-1-ethylpyridin-1-ium; tetraphenylboranuide IUPAC Name: 2-(2,6-dinitrophenoxy)-1-ethylpyridin-1-ium; tetraphenylboranuide Traditional Name: 2-(2,6-dinitrophenoxy)-1-ethyl-pyridin-1-ium; tetraphenylboranuide Formula: C37H32BN3O5 MolecularWeight: 609.47808

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[N+]1=CC=CC=C1OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[N+]1=CC=CC=C1OC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H20B.C13H12N3O5/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-14-9-4-3-8-12(14)21-13-10(15(17)18)6-5-7-11(13)16(19)20/h1-20H;3-9H,2H2,1H3/q-1;+1