2JA
Summary
| Name: | [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid |
| Formula: | C6 H14 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 260.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H14O7P2/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12)/b6-3+ |
| InChIKey | InChI | 1.03 | YYYUHBYKZCBOPY-ZZXKWVIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(CO)=C/CC[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(CO)=CCC[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCCP(=O)(O)OP(=O)(O)O)CO |
