Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt (1:1)
CAS Registry Number®
1240-04-6
CAS Name
Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt (1:1)Molecular Formula
C18H22O5S.KCite this Page
Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1240-04-6 (retrieved ) (CAS RN: 1240-04-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H22O5S.K/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/t14-,15-,16+,18+;/m1./s1
InChIKey
InChIKey=JFIBAFYJSLMYFH-ZFINNJDLSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])(CCC2=O)[H].[K]
Canonical SMILES
[K].O=C1CCC2C3CCC4=CC(OS(=O)(=O)O)=CC=C4C3CCC12C
Other Names for this Substance
- Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt (1:1)
- Estrone sulfate potassium salt
- Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, potassium salt
- Estrone, hydrogen sulfate, potassium salt
- Potassium estrone sulfate
