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3-(Sulfooxy)-Estra-1,3,5(10),7-Tetraen-17-One Sodium Salt
[CAS# 16680-47-0]

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Identification
Name 3-(Sulfooxy)-Estra-1,3,5(10),7-Tetraen-17-One Sodium Salt
Synonyms Sodium (17-Keto-13-Methyl-9,11,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-Yl) Sulfate; Conjugated Estrogens: Sodium Equilin Sulfate
Molecular Structure CAS#: 16680-47-0, 3-(Sulfooxy)-Estra-1,3,5(10),7-Tetraen-17-One Sodium Salt
Molecular Formula C18H19NaO5S
Molecular Weight 370.39
CAS Registry Number 16680-47-0 (27540-07-4)
EINECS 240-727-2
SMILES C1=CC(=CC2=C1C4C(=CC2)C3C(C(=O)CC3)(CC4)C)O[S]([O-])(=O)=O.[Na+]
InChI 1S/C18H20O5S.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;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1
InChIKey QTTMOCOWZLSYSV-UHFFFAOYSA-M
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