Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt
CAS Registry Number®
16680-48-1
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CAS Name
Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium saltMolecular Formula
C18H18O5S.NaCite this Page
Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16680-48-1 (retrieved ) (CAS RN: 16680-48-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H18O5S.Na/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;/h2-5,10,16H,6-9H2,1H3,(H,20,21,22);/t16-,18-;/m0./s1
InChIKey
InChIKey=DQIJAZCUWQSOEA-AKXYIILFSA-N
SMILES
C[C@@]12[C@](C=3C(=C4C(=CC3)C=C(OS(=O)(=O)O)C=C4)CC1)(CCC2=O)[H].[Na]
Canonical SMILES
[Na].O=C1CCC2C=3C=CC4=CC(OS(=O)(=O)O)=CC=C4C3CCC12C
Other Names for this Substance
- Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt
- Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-, hydrogen sulfate, monosodium salt
- Equilenin sodium sulfate
- Equilenin sulfate sodium salt
Deleted or Replaced CAS Registry Numbers
882742-94-1
