U9S
Summary
| Name: | (2R,3S)-oxirane-2,3-dicarboxylic acid |
| Synonyms: | cis-2,3-epoxysuccinic acid |
| Formula: | C4 H4 O5 |
| Formal charge: | 0 |
| Formula weight: | 132.072 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-oxirane-2,3-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-oxirane-2,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C1C(O1)C(O)=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+ |
| InChIKey | InChI | 1.03 | DCEMCPAKSGRHCN-XIXRPRMCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1O[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1O[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@@H]1([C@H](O1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1(C(O1)C(=O)O)C(=O)O |
