1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate

Systemtic Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate Openeye Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate CAS Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethanol tetrafluoroborate IUPAC Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate Traditional Name: 1-(3-nitrophenyl)-2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol tetrafluoroborate Formula: C31H25BF4N2O3 MolecularWeight: 560.346413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC(C4=CC(=CC=C4)[N+](=O)[O-])O)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CC(C4=CC(=CC=C4)[N+](=O)[O-])O)C5=CC=CC=C5

InChI

InChI=1S/C31H25N2O3.BF4/c34-31(26-17-10-18-28(19-26)33(35)36)22-32-29(24-13-6-2-7-14-24)20-27(23-11-4-1-5-12-23)21-30(32)25-15-8-3-9-16-25;2-1(3,4)5/h1-21,31,34H,22H2;/q+1;-1