GDE
Summary
| Name: | 3,4,5-trihydroxybenzoic acid |
| Synonyms: | Gallate |
| Formula: | C7 H6 O5 |
| Formal charge: | 0 |
| Formula weight: | 170.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4,5-trihydroxybenzoic acid |
| OpenEye OEToolkits | 1.7.2 | 3,4,5-tris(oxidanyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(O)c(O)c(O)c1 |
| InChI | InChI | 1.03 | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
| InChIKey | InChI | 1.03 | LNTHITQWFMADLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1c(cc(c(c1O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1c(cc(c(c1O)O)O)C(=O)O |
