E8U
Summary
| Name: | (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid |
| Formula: | C7 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 190.151 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-hydroxy-2-oxoheptanedioic acid |
| OpenEye OEToolkits | 1.9.2 | (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(=O)O)CC(O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | HNOAJOYERZTSNK-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CCC(O)=O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CCC(O)=O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CC(=O)O)[C@H](CC(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(=O)O)C(CC(=O)C(=O)O)O |
