GK0
Summary
| Name: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide |
| Formula: | C14 H12 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 320.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O7/c17-8-1-6(2-9(18)12(8)21)5-15-16-14(23)7-3-10(19)13(22)11(20)4-7/h1-5,17-22H,(H,16,23)/b15-5+ |
| InChIKey | InChI | 1.03 | PYWCMFFRTOJYQJ-PJQLUOCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O |
| SMILES | CACTVS | 3.385 | Oc1cc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c(cc(c(c1O)O)O)C=NNC(=O)c2cc(c(c(c2)O)O)O |
