5VK
Summary
| Name: | ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate |
| Formula: | C17 H18 O4 |
| Formal charge: | 0 |
| Formula weight: | 286.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18O4/c1-2-21-17(20)10-8-12-7-9-14(16(19)11-12)13-5-3-4-6-15(13)18/h3-7,9,11,18-19H,2,8,10H2,1H3 |
| InChIKey | InChI | 1.03 | NLRSDRXKCXNRRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O |
