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

ChEBI IDCHEBI:191099
ChEBI NameDi(2,6-dimethyl-4-heptyl) phthalate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCC(C)CC(CC(C)C)OC(=O)c1ccccc1C(=O)OC(CC(C)C)CC(C)C
InChIInChI=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
InChIKeyZTIBSRHEQOIADA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
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