OM6
Summary
| Name: | (2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one |
| Formula: | C14 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-cyclohexyl-6-oxidanyl-1-benzofuran-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc2c(c1)OC(C2=O)C1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | WHONYTGAUPIIAI-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2C(=O)[C@H](Oc2c1)C3CCCCC3 |
| SMILES | CACTVS | 3.385 | Oc1ccc2C(=O)[CH](Oc2c1)C3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)O[C@@H](C2=O)C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)OC(C2=O)C3CCCCC3 |
