diethylstilbestrol

[1. A synthetic nonsteroidal estrogenic compound. Sometimes used as a postcoital antipregnancy agent to prevent implantation of the fertilized ovum. The first demonstrated transplacental carcinogen responsible for a delayed clear cell vaginal carcinoma in female offspring of mothers who took the drug during pregnancy when the drug was erroneously thought to prevent threatened abortion.

Molecular Formula: C₁₈H₂₀O₂

InChI: InChI=1/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

InChIKey: InChIKey=RGLYKWWBQGJZGM-ISLYRVAYBW
SMILES: CC\C(c1ccc(O)cc1)=C(\CC)c2ccc(O)cc2

CAS number 56-53-1

Names:
    Diethylstilbestrol
    diethylstilbestrol
    trans-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol
    α,α'-diethyl-(E)-4,4'-stilbenediol
    (E)-3,4-bis(4-hydroxyphenyl)-3-hexene
    (E)-4,4'-(1,2-diethyl-1,2-ethenediyl)bisphenol
    4,4'-dihydroxy-α,β-diethylstilbene
    4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

Registries:
    PubChem CID 448537
    Beilstein =2056095
    CAS 56-53-1 (from NIST)
    ChEBI 4531
    Kegg C07620
    PubChem ID 10300220
    PubChem ID 9822