9KL
Summary
| Name: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid |
| Synonyms: | Dexketoprofen |
| Formula: | C16 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 254.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[3-(phenylcarbonyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | DKYWVDODHFEZIM-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O |
