Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-

CAS Registry Number®

861441-06-7

CAS Name

Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-

Molecular Formula

C20H6D8O2

Cite this Page

Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=861441-06-7 (retrieved 2024-12-22) (CAS RN: 861441-06-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219-221 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/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-/s2/i1D,2D,3D,4D,5D,6D,7D,10D

InChIKey

InChIKey=YDXRLMMGARHIIC-FWBVZRAQNA-N

SMILES

O[C@@H]1C2=C(C=3C4=C5C(=C(C3[2H])[2H])C(=C(C(=C5C(=C(C4=C2[2H])[2H])[2H])[2H])[2H])[2H])C=C[C@H]1O

Canonical SMILES

OC1C=CC2=C3C=CC4=CC=CC5=CC=C(C=C2C1O)C3=C54

Other Names for this Substance

  • Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.