9AB
Summary
| Name: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid |
| Formula: | C15 H16 Br4 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 575.916 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16Br4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23) |
| InChIKey | InChI | 1.03 | OTAXRRBXSSWBKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br |
