NF3
Summary
| Name: | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid |
| Formula: | C6 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 144.125 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3- |
| InChIKey | InChI | 1.03 | XLYMOEINVGRTEX-ARJAWSKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)\C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)/C=C\C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C=CC(=O)O |
