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Estradiol 3-Methyl Ether 17-Acetate
[CAS# 5976-55-6]

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Identification
Name Estradiol 3-Methyl Ether 17-Acetate
Synonyms 3-[(5Z)-5-[(2,5-Dimethoxyphenyl)Methylidene]-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-3-Yl]Propanoic Acid; 3-[(5Z)-5-[(2,5-Dimethoxyphenyl)Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Propanoic Acid; 3-[5-[(2,5-Dimethoxyphenyl)Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Propanoic Acid
Molecular Structure CAS#: 5976-55-6, Estradiol 3-Methyl Ether 17-Acetate
Molecular Formula C15H15NO5S2
Molecular Weight 353.41
CAS Registry Number 5976-55-6
SMILES C2=C(/C=C/1SC(=S)N(C1=O)CCC(=O)O)C(=CC=C2OC)OC
InChI 1S/C15H15NO5S2/c1-20-10-3-4-11(21-2)9(7-10)8-12-14(19)16(15(22)23-12)6-5-13(17)18/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/b12-8-
InChIKey BSEGYGDDEWQDQV-WQLSENKSSA-N
Properties
Density 1.469g/cm3 (Cal.)
Boiling point 560.765°C at 760 mmHg (Cal.)
Flash point 292.94°C (Cal.)
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