![4-[[(2,2,2-Trichloroethoxy)sulfonyl]oxy]-benzoic Acid Phenylmethyl Ester](https://resource.bocsci.com/structure/653605-32-4.gif)
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| IUPAC Name: | benzyl 4-(2,2,2-trichloroethoxysulfonyloxy)benzoate |
| Description: | 4-[[(2,2,2-Trichloroethoxy)sulfonyl]oxy]-benzoic Acid Phenylmethyl Ester is an intermediate in the synthesis of p-Salicylic Acid 4-Sulfate which is a urine metabolite of Methylated paraben (B693600), an antimicrobial agent used in cosmetics. |
| Molecular Weight: | 439.69 |
| Molecular Formula: | C16H13Cl3O6S |
| Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)OCC(Cl)(Cl)Cl |
| InChI: | InChI=1S/C16H13Cl3O6S/c17-16(18,19)11-24-26(21,22)25-14-8-6-13(7-9-14)15(20)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChI Key: | ZQEAPSHBGVRYKY-UHFFFAOYSA-N |
| References: | Tsukamoto, H., et al: Chem. Pharma. Bull., 10, 86 (1962); Desai, N.B., et al. J. Sci. Indust. Res., 14, 330 (1955). |
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