6UN
Summary
| Name: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid |
| Formula: | C6 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 142.109 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)/b3-1+,4-2+ |
| InChIKey | InChI | 1.03 | MTOBWJUHQXQURZ-ZPUQHVIOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O\C=C\C=C\C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC=CC=CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C(=C/C(=O)C(=O)O)\C=C\O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(=CC(=O)C(=O)O)C=CO |
