2DE
Summary
| Name: | (2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| Formula: | C14 H26 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 368.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.0 | [(2E,6E)-7,11-dimethyldodeca-2,6,10-trienyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OC/C=C/CC\C=C(/C)CC\C=C(/C)C)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCC/C(C)=C/CC/C=C/CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCCC=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCCC(=CCCC=CCOP(=O)(O)OP(=O)(O)O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H26O7P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-20-23(18,19)21-22(15,16)17/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,18,19)(H2,15,16,17)/b7-5+,14-10+ |
| InChIKey | InChI | 1.03 | AFSHNJXUHHFZPQ-XOBXVUKQSA-N |
