Analyte Name

BDP TR Carboxylic Acid

CAS Number

150152-64-0

Molecular Formula

C21H14BF2N2O3S.H

Molecular Weight

424.23

SMILES

[H+].O=C([O-])COC=1C=CC(=CC1)C2=CC=C3C=C4C=CC(C=5SC=CC5)=[N]4[B+3]([F-])([F-])[N-]32

InChI

InChI=1S/C21H15BF2N2O3S/c23-22(24)25-15(12-16-6-10-19(26(16)22)20-2-1-11-30-20)5-9-18(25)14-3-7-17(8-4-14)29-13-21(27)28/h1-12H,13H2,(H,27,28)

IUPAC

2-[4-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)phenoxy]acetic acid

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat