GE9
Summary
Name: | 2,3,5-tris(iodanyl)benzamide |
Formula: | C7 H4 I3 N O |
Formal charge: | 0 |
Formula weight: | 498.826 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2,3,5-tris(iodanyl)benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C7H4I3NO/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H2,11,12) |
InChIKey | InChI | 1.06 | OVJSATAEGZSMIJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cc(I)cc(I)c1I |
SMILES | CACTVS | 3.385 | NC(=O)c1cc(I)cc(I)c1I |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1C(=O)N)I)I)I |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1C(=O)N)I)I)I |