CHEBI:191099 - Di(2,6-dimethyl-4-heptyl) phthalate

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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 Di(2,6-dimethyl-4-heptyl) phthalate
ChEBI ID CHEBI:191099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-17(2)13-21(14-18(3)4)29-25(27)23-11-9-10-12-24(23)26(28)30-22(15-19(5)6)16-20(7)8/h9-12,17-22H,13-16H2,1-8H3
InChIKey ZTIBSRHEQOIADA-UHFFFAOYSA-N
SMILES O(C(CC(C)C)CC(C)C)C(=O)C=1C(C(OC(CC(C)C)CC(C)C)=O)=CC=CC1
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing Di(2,6-dimethyl-4-heptyl) phthalate (CHEBI:191099) is a benzoate ester (CHEBI:36054)
IUPAC Name
bis(2,6-dimethylheptan-4-yl) benzene-1,2-dicarboxylate