2-((1r,4r)-4-(4-Chlorophenyl)cyclohexyl-d5)-1-oxo-1H-indene-3-carboxylic Acid

Analyte Name

2-((1r,4r)-4-(4-Chlorophenyl)cyclohexyl-d5)-1-oxo-1H-indene-3-carboxylic Acid

Molecular Formula

C22 D5 H14 Cl O3

Molecular Weight

371.868

Accurate Mass

371.134

SMILES

[2H]C1([2H])C[C@@H](CC([2H])([2H])[C@@]1([2H])C2=C(C(=O)O)c3ccccc3C2=O)c4ccc(Cl)cc4

InChI

InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(22(25)26)17-3-1-2-4-18(17)21(19)24/h1-4,9-13,15H,5-8H2,(H,25,26)/t13-,15-/i7D2,8D2,15D

IUPAC

2-[4-(4-chlorophenyl)-1,2,2,6,6-pentadeuteriocyclohexyl]-3-oxoindene-1-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat