QG6
Summary
| Name: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid |
| Synonyms: | MINCH |
| Formula: | C16 H28 O4 |
| Formal charge: | 0 |
| Formula weight: | 284.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.06 | LIIPZKBBDLBJSA-HZSPNIEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(C)CCCOC(=O)C1CCCCC1C(=O)O |
