4OX
Summary
| Name: | 4-OXODECANEDIOIC ACID |
| Synonyms: | 4-OXOSEBACIC ACID |
| Formula: | C10 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 216.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-oxodecanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 4-oxodecanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(=O)CCCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)CCC(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)CCC(=O)O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | XTQIBFVBYWIHIP-UHFFFAOYSA-N |
