EQL
Summary
| Name: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid |
| Formula: | C14 H7 N O6 |
| Formal charge: | 0 |
| Formula weight: | 285.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H7NO6/c16-11-5-1-3-7(13(18)19)10-8(14(20)21)4-2-6(9(5)10)12(17)15-11/h1-4H,(H,18,19)(H,20,21)(H,15,16,17) |
| InChIKey | InChI | 1.03 | NFOKRVXFAWSKMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2C(=O)NC(=O)c3ccc(C(O)=O)c1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O |
