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

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ChEBI Name 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate ChEBI ID CHEBI:83768 Definition A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H18O5S Net Charge 0 Average Mass 286.34400 Monoisotopic Mass 286.08749 InChI InChI=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 InChIKey IRCMYGHHKLLGHV-UHFFFAOYSA-N SMILES CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C ChEBI Ontology Outgoing 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 (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 Manual Xref Database 278 PPDB View more database links Last Modified 17 November 2014