83B
Summary
| Name: | [(3S)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate |
| Formula: | C10 H22 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 316.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{S})-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H22O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,10H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | MDPFRHMROKBMSH-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)C |
| SMILES | CACTVS | 3.385 | C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O |
