WOG
Summary
| Name: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
| Formula: | C8 H17 O4 P |
| Formal charge: | 0 |
| Formula weight: | 208.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [(~{E})-3-methylhept-2-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)OC\C=C(/C)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C8H17O4P/c1-3-4-5-8(2)6-7-12-13(9,10)11/h6H,3-5,7H2,1-2H3,(H2,9,10,11)/b8-6+ |
| InChIKey | InChI | 1.03 | QMNGGLZLXZOOFN-SOFGYWHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(/C)=C/CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC(C)=CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC/C(=C/COP(=O)(O)O)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=CCOP(=O)(O)O)C |
