6OA
Summary
| Name: | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid |
| Formula: | C6 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 144.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid |
| OpenEye OEToolkits | 1.7.6 | (2Z,4E)-2,6-bis(oxidanyl)hexa-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(\O)=C\C=C\CO |
| InChI | InChI | 1.03 | InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3- |
| InChIKey | InChI | 1.03 | YRYDCWGBHNTXLE-WFTYEQLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC\C=C\C=C(/O)C(O)=O |
| SMILES | CACTVS | 3.385 | OCC=CC=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(/C=C/C=C(/C(=O)O)\O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C=CC=C(C(=O)O)O)O |
