GJY

methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate

Created:2018-05-24
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count56
Aromatic Bond Count0
2D diagram of GJY

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Chemical Component Summary

Namemethyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate
SynonymsMethyl alpha-Linolenyl Fluorophosphonate (MLnFP)
Systematic Name (OpenEye OEToolkits)(3~{Z},6~{Z},9~{Z})-18-[fluoranyl(methoxy)phosphoryl]octadeca-3,6,9-triene
FormulaC19 H34 F O2 P
Molecular Weight344.444
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OC)(F)CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC
SMILESCACTVS3.385CCC=CCC=CCC=CCCCCCCCC[P](F)(=O)OC
SMILESOpenEye OEToolkits2.0.6CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F
Canonical SMILESCACTVS3.385 CC\C=C/C/C=C\C\C=C/CCCCCCCC[P@](F)(=O)OC
Canonical SMILESOpenEye OEToolkits2.0.6 CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F
InChIInChI1.03 InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1
InChIKeyInChI1.03 MEHJVKGETWKOKY-SINQZMEQSA-N

Related Resource References

Resource NameReference
PubChem 95065672