244
Summary
| Name: | [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE |
| Formula: | C16 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile |
| OpenEye OEToolkits | 1.5.0 | 2-[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CCc3cc(O)cc1c3oc(c1)c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)c2oc3c(CC#N)cc(O)cc3c2 |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)c2oc3c(CC#N)cc(O)cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2 |
| InChIKey | InChI | 1.03 | ZKJVCUXZMYKTLT-UHFFFAOYSA-N |
