8EW
Summary
| Name: | 3-methylpent-2-enedioic acid |
| Formula: | C6 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 144.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-methylpent-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | WKRBKYFIJPGYQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(CC(O)=O)=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CC(CC(O)=O)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CC(=O)O)CC(=O)O |
