| PDB CCD ID: | OTT |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C8 H10 O2 |
| InChI: | 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: | IAAPVNQZSBLWKH-ICDJNDDTSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC=CC=CC=CC(O)=O | | ACDLabs 12.01 | O=C(O)\C=C\C=C\C=C\C | | CACTVS 3.370 | C/C=C/C=C/C=C/C(O)=O | | OpenEye OEToolkits 1.7.0 | C/C=C/C=C/C=C/C(=O)O | | OpenEye OEToolkits 1.7.0 | CC=CC=CC=CC(=O)O |
|
| Name: | (2E,4E,6E)-octa-2,4,6-trienoic acid;
2,4,6-OCTATRIENOIC ACID |
| ChEMBL: | CHEMBL1208330 |
| ZINC: | ZINC000001733900 |
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