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| IUPAC Name: | 2-(2-ethylhexoxycarbonyl)terephthalic acid |
| Description: | 1,2,4-Benzenetricarboxylic Acid 2-(2-ethylhexyl) Ester is an analog of Trioctyl Trimellitate (T804400) which is a plasticizer that was evaluated for endocrine disrupting activities through estrogen receptor alpha binding assay. |
| Molecular Weight: | 322.35 |
| Molecular Formula: | C17H22O6 |
| Canonical SMILES: | CCCCC(CC)COC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O |
| InChI: | InChI=1S/C17H22O6/c1-3-5-6-11(4-2)10-23-17(22)14-9-12(15(18)19)7-8-13(14)16(20)21/h7-9,11H,3-6,10H2,1-2H3,(H,18,19)(H,20,21) |
| InChI Key: | HFPLODPJOPAAKB-UHFFFAOYSA-N |
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