0ER
Summary
| Name: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate |
| Formula: | C16 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 318.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14O7/c1-7-6-10(19)12(13(14(7)20)16(22)23-2)15(21)11-8(17)4-3-5-9(11)18/h3-6,17-20H,1-2H3 |
| InChIKey | InChI | 1.03 | RHLYWFLKBXEUTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(O)c(C)cc(O)c1C(=O)c2c(O)cccc2O |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(O)c(C)cc(O)c1C(=O)c2c(O)cccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O |
