[2-[methyl(octadecyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[methyl(octadecyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-[methyl(octadecyl)sulfonio]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-[methyl(octadecyl)sulfonio]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-[methyl(octadecyl)sulfonio]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-[methyl(stearyl)sulfonio]-1-phosphono-ethyl]phosphinate Formula: C21H46O6P2S MolecularWeight: 488.598862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C21H46O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(2)20-21(28(22,23)24)29(25,26)27/h21H,3-20H2,1-2H3,(H3-,22,23,24,25,26,27)