HJX
Summary
| Name: | 2-hydroxy-6-(tetradecyloxy)benzoic acid |
| Synonyms: | BPH-981 |
| Formula: | C21 H34 O4 |
| Formal charge: | 0 |
| Formula weight: | 350.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxy-6-(tetradecyloxy)benzoic acid |
| OpenEye OEToolkits | 1.7.2 | 2-oxidanyl-6-tetradecoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24) |
| InChIKey | InChI | 1.03 | COUQHIRIFUVLDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O |
