| PDB CCD ID: | W2S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H14 O3 |
| InChI: | InChI=1S/C12H14O3/c1-8-4-2-3-5-9(8)10-6-15-7-11(10)12(13)14/h2-5,10-11H,6-7H2,1H3,(H,13,14)/t10-,11-/m0/s1 |
| InChIKey: | HRNZEMTYRBZUGX-QWRGUYRKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccccc1[CH]2COC[CH]2C(O)=O | | CACTVS 3.385 | Cc1ccccc1[C@@H]2COC[C@@H]2C(O)=O | | OpenEye OEToolkits 2.0.7 | Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O | | OpenEye OEToolkits 2.0.7 | Cc1ccccc1C2COCC2C(=O)O | | ACDLabs 12.01 | c1ccc(c(c1)C2C(C(=O)O)COC2)C |
|
| Name: | (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid |
umich.edu