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CHEBI:233645 - 4-Octyl itaconate

Default Structure
ChEBI IDCHEBI:233645
ChEBI Name4-Octyl itaconate
Stars
Submitterlbonaobra
DownloadsMolfile
FormulaC13H22O4
Net Charge0
Average Mass242.315
Monoisotopic Mass242.15181
SMILESC=C(CC(=O)OCCCCCCCC)C(=O)O
InChIInChI=1S/C13H22O4/c1-3-4-5-6-7-8-9-17-12(14)10-11(2)13(15)16/h2-10H2,1H3,(H,15,16)
InChIKeyKBASUIDPDITQHT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Octyl itaconate (CHEBI:233645) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2-methylidene-4-octoxy-4-oxobutanoic acidSUBMITTER
3133-16-2SUBMITTER
Registry NumbersSources
CAS:3133-16-2SUBMITTER