3E9
Summary
| Name: | (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate |
| Formula: | C15 H30 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 384.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | phosphono [(3S,6E)-3,7,11-trimethyldodeca-6,10-dienyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCCC(C)CC\C=C(/C)CC\C=C(/C)C)O |
| InChI | InChI | 1.03 | InChI=1S/C15H30O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | UGQVBUXMCRXOIF-HNRFISLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCO[P](O)(=O)O[P](O)(O)=O)CC\C=C(/C)CCC=C(C)C |
| SMILES | CACTVS | 3.385 | C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O |
