856
Summary
| Name: | O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate |
| Formula: | C11 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 224.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(cc1)C(=O)OCCO |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(cc1)C(=O)OCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)C(=O)OCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)C(=O)OCCO |
