![2-[(4-Nitrophenyl)thio]-acetic Acid Octyl Ester](https://resource.bocsci.com/structure/1246615-83-7.gif)
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| IUPAC Name: | octyl 2-(4-nitrophenyl)sulfanylacetate |
| Description: | 2-[(4-Nitrophenyl)thio]-acetic Acid Octyl Ester is an intermediate in the synthesis of labelled Sodium Trifluoroacetate which is a compound used as an intermediate for various pharmaceutical, agricultural and chemical applications. |
| Molecular Weight: | 325.42 |
| Molecular Formula: | C16H23NO4S |
| Canonical SMILES: | CCCCCCCCOC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-] |
| InChI: | InChI=1S/C16H23NO4S/c1-2-3-4-5-6-7-12-21-16(18)13-22-15-10-8-14(9-11-15)17(19)20/h8-11H,2-7,12-13H2,1H3 |
| InChI Key: | JUKHZVNHSBAYCB-UHFFFAOYSA-N |
| Solubility: | Chloroform, Dichloromethane, Ethyl Acetate, Hexanes |
| Appearance: | Yellow Oil |
| Storage: | Room Temperature, under inert atmosphere |
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