RWY
Summary
| Name: | 2-(4-phenoxyphenoxy)ethyl thiocyanate |
| Formula: | C15 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 271.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-phenoxyphenoxy)ethyl thiocyanate |
| OpenEye OEToolkits | 1.7.2 | 2-(4-phenoxyphenoxy)ethyl thiocyanate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CSCCOc2ccc(Oc1ccccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N#CSCCOc1ccc(Oc2ccccc2)cc1 |
| SMILES | CACTVS | 3.370 | N#CSCCOc1ccc(Oc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Oc2ccc(cc2)OCCSC#N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Oc2ccc(cc2)OCCSC#N |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO2S/c16-12-19-11-10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey | InChI | 1.03 | YQZHGQYIMXWEHI-UHFFFAOYSA-N |
