ENL
Summary
| Name: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
| Synonyms: | Endothall |
| Formula: | C8 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 186.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1S,4R,5S,6R)-7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1C(C(=O)O)C2OC1CC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH]1[CH]2CC[CH](O2)[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2C(C(C1O2)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+ |
| InChIKey | InChI | 1.03 | GXEKYRXVRROBEV-FBXFSONDSA-N |
