IOW
Summary
| Name: | (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-methyl-2-oxidanyl-4-oxidanylidene-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | YRWAMSXHYBBHFL-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](O)(CC(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CC(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](CC(=O)C(=O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)C(=O)O)(C(=O)O)O |
