OTT
Summary
| Name: | (2E,4E,6E)-octa-2,4,6-trienoic acid |
| Synonyms: | 2,4,6-OCTATRIENOIC ACID |
| Formula: | C8 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 138.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,6E)-octa-2,4,6-trienoic acid |
| OpenEye OEToolkits | 1.7.0 | (2E,4E,6E)-octa-2,4,6-trienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C=C\C=C\C=C\C |
| SMILES_CANONICAL | CACTVS | 3.370 | C/C=C/C=C/C=C/C(O)=O |
| SMILES | CACTVS | 3.370 | CC=CC=CC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C=C/C=C/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC=CC=CC=CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+ |
| InChIKey | InChI | 1.03 | IAAPVNQZSBLWKH-ICDJNDDTSA-N |
