I1M
Summary
Name: | (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(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})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H12ClNO2/c16-15-8-13(19)5-6-14(15)11(9-17)7-10-1-3-12(18)4-2-10/h1-6,8,11,18-19H,7H2/t11-/m0/s1 |
InChIKey | InChI | 1.03 | PQFVBUHUFFSLPG-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(C[C@@H](C#N)c2ccc(O)cc2Cl)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(C[CH](C#N)c2ccc(O)cc2Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H](C#N)c2ccc(cc2Cl)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(C#N)c2ccc(cc2Cl)O)O |