Mono-carboxy isononyl phthalate (CHEBI:165209)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Mono-carboxy isononyl phthalate

ChEBI ID	CHEBI:165209

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H24O6

Net Charge

Average Mass

336.384

Monoisotopic Mass

336.15729

InChI

InChI=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)

InChIKey

IOWADRRGIUUGJH-UHFFFAOYSA-N

SMILES

O(C(CCCCCCCC(O)=O)C)C(=O)C=1C(=CC=CC1)C(O)=O

ChEBI Ontology
Outgoing	Mono-carboxy isononyl phthalate (CHEBI:165209) is a benzoate ester (CHEBI:36054)

IUPAC Name

2-(9-carboxynonan-2-yloxycarbonyl)benzoic acid