Analyte Name

(±)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene (1,2,3,4,5,6,10,11-D8)

CAS Number

861441-06-7

Molecular Formula

C20 D8 H6 O2

Molecular Weight

294.373

Accurate Mass

294.15

SMILES

[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c4[C@H](O)[C@@H](O)C=Cc4c5c([2H])c([2H])c(c1[2H])c2c35

InChI

InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1/i1D,2D,3D,4D,5D,6D,7D,10D

IUPAC

(7S,8S)-1,2,3,4,5,6,11,12-octadeuterio-7,8-dihydrobenzo[a]pyrene-7,8-diol

Unlabelled CAS Number

60864-95-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled; API

Product Format

Neat