QGL
Summary
| Name: | 2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid |
| Synonyms: | MEHP |
| Formula: | C16 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 278.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | DJDSLBVSSOQSLW-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](CC)COC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](CC)COC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCC(CC)COC(=O)c1ccccc1C(=O)O |
