[(2S)-4-diethoxyphosphoryl-4,4-bis(fluoranyl)-2-oxidanyl-butyl] (E)-octadec-9-enoate

Systemtic Name: [(2S)-4-diethoxyphosphoryl-4,4-bis(fluoranyl)-2-oxidanyl-butyl] (E)-octadec-9-enoate Openeye Name: [(2S)-4-diethoxyphosphoryl-4,4-difluoro-2-hydroxy-butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(2S)-4-diethoxyphosphoryl-4,4-difluoro-2-hydroxybutyl] ester IUPAC Name: [(2S)-4-diethoxyphosphoryl-4,4-difluoro-2-hydroxybutyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(2S)-4-diethoxyphosphoryl-4,4-difluoro-2-hydroxy-butyl] ester Formula: C26H49F2O6P MolecularWeight: 526.634227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(F)(F)P(=O)(OCC)OCC)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CC(F)(F)P(=O)(OCC)OCC)O

InChI

InChI=1S/C26H49F2O6P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)32-23-24(29)22-26(27,28)35(31,33-5-2)34-6-3/h13-14,24,29H,4-12,15-23H2,1-3H3/b14-13+/t24-/m0/s1