JUS
Summary
| Name: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL |
| Formula: | C19 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 295.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-hexyl-2-hydroxyphenoxy)benzonitrile |
| OpenEye OEToolkits | 1.7.6 | 2-(4-hexyl-2-oxidanyl-phenoxy)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c(Oc1ccc(cc1O)CCCCCC)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3 |
| InChIKey | InChI | 1.03 | RPZKERMNVCALKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 |
| SMILES | CACTVS | 3.370 | CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N |
