M3P
Summary
| Name: | (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid |
| Formula: | C7 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 156.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (2E,4E)-2-hydroxy-6-oxo-hepta-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(\C=C\C=C(\O)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)\C=C\C=C(O)/C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)C=CC=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)\C=C\C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C=CC=C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b3-2+,6-4+ |
| InChIKey | InChI | 1.03 | HVZGWILTESYJSP-WJPDYIDTSA-N |
