CHEBI:59149 - 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone

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ChEBI Name 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone ChEBI ID CHEBI:59149 Definition A butan-4-olide having a (4-chlorophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB8292656, ChemicalBook:CB5208584, eMolecules:475163, ZINC000008437654 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H15ClO5S Net Charge 0 Average Mass 318.77300 Monoisotopic Mass 318.03287 InChI InChI=1S/C13H15ClO5S/c1-13(2)7-9(12(15)19-13)8-18-20(16,17)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3 InChIKey HDBZILYPRPDNTH-UHFFFAOYSA-N SMILES CC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1 ChEBI Ontology Outgoing 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a arenesulfonate ester (CHEBI:38094) 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a butan-4-olide (CHEBI:22950) 3-[(4-chlorophenylsulfonyloxy)methyl]-5,5-dimethylbutyrolactone (CHEBI:59149) is a monochlorobenzenes (CHEBI:83403) IUPAC Name (5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-chlorobenzene-1-sulfonate Synonyms Sources (5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate IUPAC 3-(4-chlorobenzenesulfonyl)oxymethyl-5,5-dimethyldihydro-2(3H)-furanone ChEBI 3-[(4-chlorobenzenesulfonyl)oxymethyl]-5,5-dimethyldihydro-2(3H)-furanone ChEBI Citations Types Sources 8075360 PubMed citation Europe PMC 8075361 PubMed citation Europe PMC Last Modified 23 June 2016