A1JKI
Summary
| Name: | 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoic acid |
| Formula: | C12 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.238 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.06 | LBSJJNAMGVDGCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCc1cc(ccc1O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCc1cc(ccc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCc1cc(ccc1O)C(=O)O)C |
