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

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count29
Aromatic Bond Count0
2D diagram of WOG

Chemical Component Summary

Name(2E)-3-methylhept-2-en-1-yl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(~{E})-3-methylhept-2-enyl] dihydrogen phosphate
FormulaC8 H17 O4 P
Molecular Weight208.192
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OP(O)(=O)OC\C=C(/C)CCCC
SMILESCACTVS3.385CCCCC(C)=CCO[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7CCCCC(=CCOP(=O)(O)O)C
Canonical SMILESCACTVS3.385 CCCCC(/C)=C/CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCCC/C(=C/COP(=O)(O)O)/C
InChIInChI1.03 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+
InChIKeyInChI1.03 QMNGGLZLXZOOFN-SOFGYWHQSA-N

Related Resource References

Resource NameReference
PubChem 162369722