Estradiol, sulfate
CAS Registry Number®
28814-94-0
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CAS Name
Estradiol, sulfateMolecular Formula
C18H24O2.xH2O4SCite this Page
Estradiol, sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=28814-94-0 (retrieved ) (CAS RN: 28814-94-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H24O2.H2O4S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-5(2,3)4/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;(H2,1,2,3,4)/t14-,15-,16+,17+,18+;/m1./s1
InChIKey
InChIKey=LDSYPJSYQOUQMN-CMZLOHJFSA-N
SMILES
S(=O)(=O)(O)O.C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Canonical SMILES
O=S(=O)(O)O.OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, hydrogen sulfate
- Estradiol, sulfate
- (17β)-Estradiol sulfate
Deleted or Replaced CAS Registry Numbers
12687-58-0