XBF
Summary
| Name: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide |
| Formula: | C16 H25 N O4 |
| Formal charge: | 0 |
| Formula weight: | 295.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | HUVVKGRTMBOPNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCN(C)C(=O)c1cc(c(c(c1)O)O)O |
