Y7D
Summary
| Name: | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate |
| Formula: | C8 H18 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 288.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 2.0.7 | [(~{Z})-3-methylhept-2-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(O)(=O)OC\C=C(\C)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C8H18O7P2/c1-3-4-5-8(2)6-7-14-17(12,13)15-16(9,10)11/h6H,3-5,7H2,1-2H3,(H,12,13)(H2,9,10,11)/b8-6- |
| InChIKey | InChI | 1.03 | UIWSLTUOMNESGZ-VURMDHGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(/C)=C\CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C |
