VCQ
Summary
| Name: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid |
| Formula: | C13 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | WFLUEQCOAQCQLP-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@](O)(C1CCCC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[C](O)(C1CCCC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@](C2CCCC2)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(C2CCCC2)(C(=O)O)O |
