Analyte Name

7-Oxo Bexarotene-d6

Molecular Formula

C24 D6 H20 O3

Molecular Weight

368.498

Accurate Mass

368.226

SMILES

[2H]C([2H])([2H])C1(C(=O)CC(C)(C)c2cc(C)c(cc12)C(=C)c3ccc(cc3)C(=O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C24H26O3/c1-14-11-19-20(24(5,6)21(25)13-23(19,3)4)12-18(14)15(2)16-7-9-17(10-8-16)22(26)27/h7-12H,2,13H2,1,3-6H3,(H,26,27)/i5D3,6D3

IUPAC

4-[1-[3,5,5-trimethyl-7-oxo-8,8-bis(trideuteriomethyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid

Unlabelled CAS Number

368451-15-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat