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CHEBI:83769 - (S)-ethofumesate

ChEBI IDCHEBI:83769
ChEBI Name(S)-ethofumesate
Stars
ASCII Name(S)-ethofumesate
DefinitionThe (S)-enantiomer of 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate.
Last Modified17 November 2014
Submitternamrata
DownloadsMolfile
FormulaC13H18O5S
Net Charge0
Average Mass286.349
Monoisotopic Mass286.08749
SMILES[H][C@]1(OCC)Oc2ccc(OS(C)(=O)=O)cc2C1(C)C
InChIInChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3/t12-/m0/s1
InChIKeyIRCMYGHHKLLGHV-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-ethofumesate (CHEBI:83769) is a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768)
(S)-ethofumesate (CHEBI:83769) is enantiomer of (R)-ethofumesate (CHEBI:83770)
Incoming Relation(s)
ethofumesate (CHEBI:81990) has part (S)-ethofumesate (CHEBI:83769)
(R)-ethofumesate (CHEBI:83770) is enantiomer of (S)-ethofumesate (CHEBI:83769)
IUPAC Name 
(2S)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
Registry NumbersSources
Reaxys:22877082Reaxys