I2G
Summary
| Name: | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid |
| Formula: | C12 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 196.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E},6~{S})-4,6-dimethyldeca-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H20O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+,11-9+/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | DZXNZBWYVLLUAX-IVONAZQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](C)\C=C(C)\C=C\C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](C)C=C(C)C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@H](C)/C=C(\C)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C)C=C(C)C=CC(=O)O |
