KWB
Summary
| Name: | 5-cyclohexyl-2-hydroxybenzoate |
| Formula: | C13 H15 O3 |
| Formal charge: | -1 |
| Formula weight: | 219.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-cyclohexyl-2-hydroxybenzoate |
| OpenEye OEToolkits | 1.7.6 | 5-cyclohexyl-2-oxidanyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-]C(=O)c1cc(ccc1O)C2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1 |
| InChIKey | InChI | 1.03 | GZEPXNUXMPYSOQ-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1C([O-])=O)C2CCCCC2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1C([O-])=O)C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2CCCCC2)C(=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2CCCCC2)C(=O)[O-])O |
