Summary
| Name: | FUMARATE |
| Formula: | C4 H2 O4 |
| Formal charge: | -2 |
| Formula weight: | 114.056 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-but-2-enedioate |
| OpenEye OEToolkits | 1.7.6 | (E)-but-2-enedioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]C(=O)\C=C\C([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+ |
| InChIKey | InChI | 1.03 | VZCYOOQTPOCHFL-OWOJBTEDSA-L |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-]C(=O)\C=C\C([O-])=O |
| SMILES | CACTVS | 3.370 | [O-]C(=O)C=CC([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=C/C(=O)[O-])\C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=CC(=O)[O-])C(=O)[O-] |
