YP2
Summary
| Name: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid |
| Formula: | C11 H7 N O6 |
| Formal charge: | 0 |
| Formula weight: | 249.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H7NO6/c13-8(14)4-12-9(15)6-2-1-5(11(17)18)3-7(6)10(12)16/h1-3H,4H2,(H,13,14)(H,17,18) |
| InChIKey | InChI | 1.06 | RPFFHROJAGNUIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CN1C(=O)c2ccc(cc2C1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CC(=O)O |
