7ZV
Summary
| Name: | 5-hydroxydiclofenac |
| Synonyms: | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid |
| Formula: | C14 H11 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 312.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20) |
| InChIKey | InChI | 1.03 | VNQURRWYKFZKJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl |
