B3I
Summary
| Name: | 2,3,5-TRIIODOBENZOIC ACID |
| Formula: | C7 H3 I3 O2 |
| Formal charge: | 0 |
| Formula weight: | 499.811 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,3,5-triiodobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2,3,5-triiodobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1c(C(=O)O)cc(I)cc1I |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(I)cc(I)c1I |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(I)cc(I)c1I |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1C(=O)O)I)I)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1C(=O)O)I)I)I |
| InChI | InChI | 1.03 | InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12) |
| InChIKey | InChI | 1.03 | ZMZGFLUUZLELNE-UHFFFAOYSA-N |
