6GT
Summary
| Name: | 2-oxoheptanedioic acid |
| Synonyms: | 2-Ketopimelic acid |
| Formula: | C7 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 174.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxoheptanedioic acid |
| OpenEye OEToolkits | 2.0.4 | 2-oxidanylideneheptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCCCC(C(=O)O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | HABHUTWTLGRDDU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C(CCC(=O)O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C(CCC(=O)O)CC(=O)C(=O)O |
