I0K
Summary
| Name: | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile |
| Formula: | C15 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 239.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | GHZHWDWADLAOIQ-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(C[C@H](C#N)c2ccc(O)cc2)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(C[CH](C#N)c2ccc(O)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@H](C#N)c2ccc(cc2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C#N)c2ccc(cc2)O)O |
