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CHEBI:165210 - Mono-carboxy isooctyl phthalate

ChEBI IDCHEBI:165210
ChEBI NameMono-carboxy isooctyl phthalate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC(CCCCCCC(=O)O)OC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H22O6/c1-12(8-4-2-3-5-11-15(18)19)23-17(22)14-10-7-6-9-13(14)16(20)21/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRCOGHDLTLRKQOP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mono-carboxy isooctyl phthalate (CHEBI:165210) is a benzoate ester (CHEBI:36054)
IUPAC Name 
2-(8-carboxyoctan-2-yloxycarbonyl)benzoic acid