[(3S)-1,1-bis(fluoranyl)-3,4-di(hexanoyloxy)butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate

Systemtic Name: [(3S)-1,1-bis(fluoranyl)-3,4-di(hexanoyloxy)butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate Openeye Name: [(3S)-1,1-difluoro-3,4-di(hexanoyloxy)butyl]-[2-(trimethylammonio)ethoxy]phosphinate CAS Name: [(3S)-1,1-difluoro-3,4-bis(1-oxohexoxy)butyl]-[2-(trimethylammonio)ethoxy]phosphinate IUPAC Name: [(3S)-1,1-difluoro-3,4-di(hexanoyloxy)butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate Traditional Name: [(3S)-3,4-dicaproyloxy-1,1-difluoro-butyl]-[2-(trimethylammonio)ethoxy]phosphinate Formula: C21H40F2NO7P MolecularWeight: 487.515367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CC(F)(F)P(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC[C@H](CC(F)(F)P(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC

InChI

InChI=1S/C21H40F2NO7P/c1-6-8-10-12-19(25)29-17-18(31-20(26)13-11-9-7-2)16-21(22,23)32(27,28)30-15-14-24(3,4)5/h18H,6-17H2,1-5H3/t18-/m0/s1