S2T
Summary
| Name: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid |
| Formula: | C10 H9 Cl O4 |
| Formal charge: | 0 |
| Formula weight: | 228.629 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-acetyloxy-2-(2-chlorophenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1C(OC(=O)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClO4/c1-6(12)15-9(10(13)14)7-4-2-3-5-8(7)11/h2-5,9H,1H3,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | KCSVPDYDUYOIJU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[C@H](C(O)=O)c1ccccc1Cl |
| SMILES | CACTVS | 3.385 | CC(=O)O[CH](C(O)=O)c1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)OC(c1ccccc1Cl)C(=O)O |
