CHEBI:144344 - Phthalic acid, di(3-methylphenyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Phthalic acid, di(3-methylphenyl) ester
ChEBI ID CHEBI:144344
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C22H18O4
Net Charge 0
Average Mass 346.377
Monoisotopic Mass 346.121
InChI InChI=1S/C22H18O4/c1-15-7-5-9-17(13-15)25-21(23)19-11-3-4-12-20(19)22(24)26-18-10-6-8-16(2)14-18/h3-14H,1-2H3
InChIKey CNZWUMLUHRMYDE-UHFFFAOYSA-N
SMILES O(C=1C=C(C=CC1)C)C(=O)C=2C(=CC=CC2)C(OC=3C=C(C=CC3)C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in umbilical vein endothelial cell line (BTO:0001520). See: MetaboLights Study
ChEBI Ontology
Outgoing Phthalic acid, di(3-methylphenyl) ester (CHEBI:144344) is a carbonyl compound (CHEBI:36586)
IUPAC Name
bis(3-methylphenyl) benzene-1,2-dicarboxylate