4IB
Summary
| Name: | TETRAIODOBISPHENOLA |
| Formula: | C15 H12 I4 O2 |
| Formal charge: | 0 |
| Formula weight: | 731.872 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(iodanyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12I4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 |
| InChIKey | InChI | 1.03 | ISISIYIPOKCZRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2 |
| SMILES | CACTVS | 3.385 | CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I |
