I1D
Summary
| Name: | (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile |
| Formula: | C15 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 273.714 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12ClNO2/c16-15-8-14(19)6-3-11(15)7-12(9-17)10-1-4-13(18)5-2-10/h1-6,8,12,18-19H,7H2/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | NDFNTIQEFMPFJY-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)[C@@H](Cc2ccc(O)cc2Cl)C#N |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)[CH](Cc2ccc(O)cc2Cl)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@@H](Cc2ccc(cc2Cl)O)C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(Cc2ccc(cc2Cl)O)C#N)O |
