WOG
(2E)-3-methylhept-2-en-1-yl dihydrogen phosphate
Created: | 2021-02-09 |
Last modified: | 2021-12-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate |
Systematic Name (OpenEye OEToolkits) | [(~{E})-3-methylhept-2-enyl] dihydrogen phosphate |
Formula | C8 H17 O4 P |
Molecular Weight | 208.192 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OP(O)(=O)OC\C=C(/C)CCCC |
SMILES | CACTVS | 3.385 | CCCCC(C)=CCO[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=CCOP(=O)(O)O)C |
Canonical SMILES | CACTVS | 3.385 | CCCCC(/C)=C/CO[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCCC/C(=C/COP(=O)(O)O)/C |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 162369722 |