FQZ
Summary
| Name: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid |
| Formula: | C8 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-4-2-5(8(11)12)3-6(9)7(4)10/h4-7,9-10H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | OBDLOCPYNMEWCH-BDVNFPICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC(CC(C1O)O)C(=O)O |
