0BJ
Summary
| Name: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate |
| Formula: | C16 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 302.279 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-oxidanyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3 |
| InChIKey | InChI | 1.03 | HZZOIPFDIKYDFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O |
| SMILES | CACTVS | 3.385 | COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC |
