2JY
Summary
| Name: | 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid |
| Formula: | C12 H8 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 287.096 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-[[2,3-bis(chloranyl)phenoxy]methyl]furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1oc(cc1)COc2c(Cl)c(Cl)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16) |
| InChIKey | InChI | 1.03 | DGUXQMFHNWGUES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(COc2cccc(Cl)c2Cl)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(COc2cccc(Cl)c2Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O |
