697
Summary
| Name: | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE |
| Formula: | C15 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 251.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H |
| InChIKey | InChI | 1.03 | GGEKOZPXKBYLNK-UHFFFAOYSA-N |
