EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165209 - Mono-carboxy isononyl phthalate

ChEBI IDCHEBI:165209
ChEBI NameMono-carboxy isononyl phthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILESCC(CCCCCCCC(=O)O)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H24O6/c1-13(9-5-3-2-4-6-12-16(19)20)24-18(23)15-11-8-7-10-14(15)17(21)22/h7-8,10-11,13H,2-6,9,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyIOWADRRGIUUGJH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mono-carboxy isononyl phthalate (CHEBI:165209) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-(9-carboxynonan-2-yloxycarbonyl)benzoic acid
Manual XrefsDatabases
58785100ChemSpider