[2-[methyl-(11-oxidanyl-11-oxidanylidene-undecyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-[methyl-(11-oxidanyl-11-oxidanylidene-undecyl)sulfonio]-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: hydroxy-[2-[(11-hydroxy-11-oxo-undecyl)-methyl-sulfonio]-1-phosphono-ethyl]phosphinate CAS Name: hydroxy-[2-[(11-hydroxy-11-oxoundecyl)-methylsulfonio]-1-phosphonoethyl]phosphinate IUPAC Name: hydroxy-[2-[(11-hydroxy-11-oxoundecyl)-methylsulfonio]-1-phosphonoethyl]phosphinate Traditional Name: hydroxy-[2-[(11-hydroxy-11-keto-undecyl)-methyl-sulfonio]-1-phosphono-ethyl]phosphinate Formula: C14H30O8P2S MolecularWeight: 420.395722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30O8P2S/c1-25(12-14(23(17,18)19)24(20,21)22)11-9-7-5-3-2-4-6-8-10-13(15)16/h14H,2-12H2,1H3,(H4-,15,16,17,18,19,20,21,22)