EGR
Summary
| Name: | ethyl 3,4,5-trihydroxybenzoate |
| Synonyms: | ethyl gallate |
| Formula: | C9 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 198.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 3,4,5-trihydroxybenzoate |
| OpenEye OEToolkits | 1.7.6 | ethyl 3,4,5-tris(oxidanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1cc(O)c(O)c(O)c1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 |
| InChIKey | InChI | 1.03 | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | CCOC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1cc(c(c(c1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1cc(c(c(c1)O)O)O |
