A1H6S
Summary
| Name: | (2~{S})-2-methyl-2-oxidanyl-butanedioic acid |
| Formula: | C5 H8 O5 |
| Formal charge: | 0 |
| Formula weight: | 148.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-methyl-2-oxidanyl-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | XFTRTWQBIOMVPK-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](O)(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](CC(=O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)O)(C(=O)O)O |
