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The molecular formula is C11H14O4S.
The synonyms are:(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)(S)-1-Tosyloxy-3-buten-1-ol3-Butene-1,2-diol, 1-(4-methylbenzenesulfonate), (2S)-[(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate
The molecular weight is 242.29 g/mol.
It was created on July 29, 2006.
It was last modified on October 21, 2023.
The IUPAC name is [(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate.
The InChI is InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m0/s1.
The InChIKey is YQSCDBZHHLIPOI-JTQLQIEISA-N.
The computed properties are:XLogP3: 1.4Hydrogen Bond Donor Count: 1Hydrogen Bond Acceptor Count: 4Rotatable Bond Count: 5Exact Mass: 242.06128010 g/molTopological Polar Surface Area: 72ŲHeavy Atom Count: 16
Yes, it is canonicalized.
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