Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt

CAS Registry Number®

16680-48-1

CAS Name

Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-, sodium salt

Molecular Formula

C18H18O5S.Na

Cite 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/detail?cas_rn=16680-48-1 (retrieved 2024-11-24) (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

CAS INSIGHTSTM
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