YRG
Summary
| Name: | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid |
| Formula: | C15 H13 Cl O3 |
| Formal charge: | 0 |
| Formula weight: | 276.715 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-(4-chlorophenoxy)-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccccc1)Oc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | CPBLTMSKPQDJPW-AWEZNQCLSA-N |
