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CHEBI:83768 - 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate

ChEBI IDCHEBI:83768
ChEBI Name2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
Stars
DefinitionA methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group.
Last Modified17 November 2014
Submitternamrata
DownloadsMolfile
FormulaC13H18O5S
Net Charge0
Average Mass286.349
Monoisotopic Mass286.08749
SMILESCCOC1Oc2ccc(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
InChIKeyIRCMYGHHKLLGHV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768) is a 1-benzofurans (CHEBI:38830)
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768) is a ether (CHEBI:25698)
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768) is a methanesulfonate ester (CHEBI:25223)
Incoming Relation(s)
(R)-ethofumesate (CHEBI:83770) is a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768)
(S)-ethofumesate (CHEBI:83769) is a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate (CHEBI:83768)
IUPAC Name 
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
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