JNG
Summary
| Name: | [(4-chlorophenyl)sulfanyl]acetic acid |
| Formula: | C8 H7 Cl O2 S |
| Formal charge: | 0 |
| Formula weight: | 202.658 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4-chlorophenyl)sulfanyl]acetic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(4-chlorophenyl)sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CSc1ccc(Cl)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | YPKLXLYGMAWXDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CSc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CSc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1SCC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1SCC(=O)O)Cl |
