A1H5T
Summary
| Name: | (~{Z},3~{R})-3-oxidanyldodec-5-enoic acid |
| Formula: | C12 H22 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{Z},3~{R})-3-oxidanyldodec-5-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h7-8,11,13H,2-6,9-10H2,1H3,(H,14,15)/b8-7-/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | GZUALOWLHSCENG-SKVAFPRGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC\C=C/C[C@@H](O)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC=CC[CH](O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC/C=C\C[C@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC=CCC(CC(=O)O)O |
