9HB
Summary
| Name: | Dimethyl fumarate |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | dimethyl butanedioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | MUXOBHXGJLMRAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCC(=O)OC |
| SMILES | CACTVS | 3.385 | COC(=O)CCC(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)CCC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)CCC(=O)OC |
