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CHEBI:189172 - (3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate

ChEBI IDCHEBI:189172
ChEBI Name(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4S
Net Charge0
Average Mass256.323
Monoisotopic Mass256.07693
SMILESCc1ccc(S(=O)(=O)OCC2(C)COC2)cc1
InChIInChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(13,14)16-9-12(2)7-15-8-12/h3-6H,7-9H2,1-2H3
InChIKeyPZOQQSOZRVZCMC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CHEBI:189172) is a benzenesulfonate ester (CHEBI:83352)
IUPAC Name 
(3-methyloxetan-3-yl)methyl 4-methylbenzenesulonate
Manual XrefsDatabases
4574541ChemSpider