4F8
Summary
| Name: | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID |
| Formula: | C11 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-phenyl-1H-imidazole-4,5-dicarboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 2-phenyl-1H-imidazole-4,5-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2nc(c1ccccc1)nc2C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1[nH]c(nc1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.352 | OC(=O)c1[nH]c(nc1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | GTYWKHXMYZVFSU-UHFFFAOYSA-N |
