L7X
Summary
| Name: | [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate |
| Formula: | C9 H17 Br O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 379.079 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{Z})-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H17BrO7P2/c1-8(2)4-3-5-9(10)6-7-16-19(14,15)17-18(11,12)13/h4,6H,3,5,7H2,1-2H3,(H,14,15)(H2,11,12,13)/b9-6- |
| InChIKey | InChI | 1.06 | YMIXOXPUDYECRP-TWGQIWQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(Br)=C\CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/Br)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C |
