EMJ
Summary
| Name: | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| Formula: | C17 H26 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| OpenEye OEToolkits | 1.7.6 | 2,5-bis(oxidanyl)-3-undecyl-cyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(O)C(=O)C(=C1O)CCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 |
| InChIKey | InChI | 1.03 | IRSFLDGTOHBADP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |
| SMILES | CACTVS | 3.370 | CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O |
