65D
Summary
| Name: | octyl 3,4,5-trihydroxybenzoate |
| Synonyms: | Octyl gallate |
| Formula: | C15 H22 O5 |
| Formal charge: | 0 |
| Formula weight: | 282.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | octyl 3,4,5-trihydroxybenzoate |
| OpenEye OEToolkits | 2.0.4 | octyl 3,4,5-tris(oxidanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(O)cc(C(OCCCCCCCC)=O)cc1O |
| InChI | InChI | 1.03 | InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3 |
| InChIKey | InChI | 1.03 | NRPKURNSADTHLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O |
