YQX
Summary
| Name: | 2-oxidanylideneoctanedioic acid |
| Formula: | C8 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 188.178 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylideneoctanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | HAGOOZVJLSSXGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCC(=O)C(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCC(=O)C(=O)O)CCC(=O)O |
