T8N
Summary
| Name: | (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid |
| Formula: | C7 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 188.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-2-(2-methoxy-2-oxo-ethyl)but-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C(=C/C(=O)O)CC(=O)OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)C\C(=C/C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | COC(=O)CC(=CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)C/C(=C\C(=O)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)CC(=CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+ |
| InChIKey | InChI | 1.03 | MRNZYUAGJLJQAM-DUXPYHPUSA-N |
