A1JTY
Summary
| Name: | Bempedoic acid |
| Synonyms: | 2,2,14,14-tetramethyl-8-oxidanyl-pentadecanedioic acid |
| Formula: | C19 H36 O5 |
| Formal charge: | 0 |
| Formula weight: | 344.486 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2,14,14-tetramethyl-8-oxidanyl-pentadecanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.06 | HYHMLYSLQUKXKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O |
