sodium [1,1-bis(fluoranyl)-4-icosanoyloxy-3-oxidanyl-butyl]-oxidanyl-phosphinate

Systemtic Name: sodium [1,1-bis(fluoranyl)-4-icosanoyloxy-3-oxidanyl-butyl]-oxidanyl-phosphinate Openeye Name: sodium (1,1-difluoro-3-hydroxy-4-icosanoyloxy-butyl)-hydroxy-phosphinate CAS Name: sodium [1,1-difluoro-3-hydroxy-4-(1-oxoeicosoxy)butyl]-hydroxyphosphinate IUPAC Name: sodium (1,1-difluoro-3-hydroxy-4-icosanoyloxybutyl)-hydroxyphosphinate Traditional Name: sodium (4-eicosanoyloxy-1,1-difluoro-3-hydroxy-butyl)-hydroxy-phosphinate Formula: C24H46F2NaO6P MolecularWeight: 522.578777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(F)(F)P(=O)(O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CC(F)(F)P(=O)(O)[O-])O.[Na+]

InChI

InChI=1S/C24H47F2O6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)32-21-22(27)20-24(25,26)33(29,30)31;/h22,27H,2-21H2,1H3,(H2,29,30,31);/q;+1/p-1