2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethanol tetrafluoroborate

Systemtic Name: 2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethanol tetrafluoroborate Openeye Name: 2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethanol tetrafluoroborate CAS Name: 2-(2,4-diphenyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-2-phenylethanol tetrafluoroborate IUPAC Name: 2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenylethanol tetrafluoroborate Traditional Name: 2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-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)C(C3=CC=CC=C3)C(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)C(C3=CC=CC=C3)C(C4=CC(=CC=C4)[N+](=O)[O-])O)C5=CC=CC=C5

InChI

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