9F5
Summary
| Name: | (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid |
| Synonyms: | 3-Phenoxymandelic acid |
| Formula: | C14 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 244.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | FPUCYPXKIFVDSD-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](C(O)=O)c1cccc(Oc2ccccc2)c1 |
| SMILES | CACTVS | 3.385 | O[CH](C(O)=O)c1cccc(Oc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Oc2cccc(c2)C(C(=O)O)O |
