| SpectraBase Spectrum ID |
2tCa2SgCrbb |
| Name |
Hexestrol |
| CAS Registry Number |
84-16-2 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3 |
| InChIKey |
PBBGSZCBWVPOOL-UHFFFAOYSA-N |
| SMILES |
Oc1ccc(C(C(c2ccc(O)cc2)CC)CC)cc1 |
| SPLASH |
splash10-052r-1900000000-37f7ef21ba373f432921 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
| Synonyms |
Dihydrodiethylstilbestrol
4,4′-(1,2-Diethylethylene)diphenol |
