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11-(4-{[5-(4,4,5,5,5-Pentafluoropentane-1-sulfonyl)pentyl]oxy}phenyl)estra-1(10),2,4-triene-3,17-diol

HCID 119604
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Basic information

CAS
151555-47-4
Standard SMILES
C[C@]12CC(c3ccc(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIKey
SDCUWFRXMLQNCS-JGNCIJAKSA-N
Molecular formula
C34H43F5O5S
Average molar mass
658.77 g/mol
Monoisotopic mass
658.27513658

Names & identifiers

Preferred name
11-(4-{[5-(4,4,5,5,5-Pentafluoropentane-1-sulfonyl)pentyl]oxy}phenyl)estra-1(10),2,4-triene-3,17-diol
IUPAC
(17S)-11-(4-{[5-(4,4,5,5,5-Pentafluoropentane-1-sulfonyl)pentyl]oxy}phenyl)estra-1(10),2,4-triene-3,17-diol

Database identifiers

CAS
151555-47-4
PubChem CID
119604
DTXSID
DTXSID60934291

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