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7FA

Summary
Name:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
Formula:C19 H34 F O2 P
Formal charge:0
Formula weight:344.444 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
OpenEye OEToolkits2.0.4(6~{Z},9~{Z})-1-[fluoranyl(methoxy)phosphoryl]octadeca-6,9,12-triene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(CCCC\C=C/C\C=C/C\C=C/CCCCC)P(F)(OC)=O
InChIInChI1.03InChI=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/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
InChIKeyInChI1.03PYIHGLSRUVHCML-YMLCEXCJSA-N
SMILES_CANONICALCACTVS3.385CCCCC\C=C/C/C=C\C\C=C/CCCCC[P@@](F)(=O)OC
SMILESCACTVS3.385CCCCCC=CCC=CCC=CCCCCC[P](F)(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.4CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F
SMILESOpenEye OEToolkits2.0.4CCCCCC=CCC=CCC=CCCCCCP(=O)(OC)F

246704

PDB entries from 2025-12-24

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